methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one

C47H56N4O2 — CID 159503607

About methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one

methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one (PubChem CID 159503607) has the molecular formula C47H56N4O2 and a molecular weight of 708.99 g/mol. Its IUPAC name is methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one.

Molecular Properties

• Compound Name: methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
• PubChem CID: 159503607
• Molecular Formula: C47H56N4O2
• Molecular Weight: 708.99 g/mol
• Exact Mass: 708.44
• IUPAC Name: methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
• SMILES: C.C.C=CCn1c2c(c(=O)n1-c1cccc3ccccc13)[C@H]1CC[C@]2(C)C1(C)C.CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]n(-c3cccc4ccccc34)c(=O)c12
• InChI: InChI=1S/C24H26N2O.C21H22N2O.2CH4/c1-5-15-25-21-20(18-13-14-24(21,4)23(18,2)3)22(27)26(25)19-12-8-10-16-9-6-7-11-17(16)19;1-20(2)15-11-12-21(20,3)18-17(15)19(24)23(22-18)16-10-6-8-13-7-4-5-9-14(13)16;;/h5-12,18H,1,13-15H2,2-4H3;4-10,15,22H,11-12H2,1-3H3;2*1H4/t18-,24+;15-,21+;;/m11../s1
• InChIKey: LZRWOGLRNLPYHX-MFHBXBNISA-N
• XLogP: 10.92
• TPSA: 64.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.99
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?

The IUPAC name of methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one (CID 159503607) is methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one.

What is the SMILES notation for methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?

The canonical SMILES for methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one is C.C.C=CCn1c2c(c(=O)n1-c1cccc3ccccc13)[C@H]1CC[C@]2(C)C1(C)C.CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]n(-c3cccc4ccccc34)c(=O)c12.

What is the InChIKey of methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?

The InChIKey is LZRWOGLRNLPYHX-MFHBXBNISA-N. The full InChI is InChI=1S/C24H26N2O.C21H22N2O.2CH4/c1-5-15-25-21-20(18-13-14-24(21,4)23(18,2)3)22(27)26(25)19-12-8-10-16-9-6-7-11-17(16)19;1-20(2)15-11-12-21(20,3)18-17(15)19(24)23(22-18)16-10-6-8-13-7-4-5-9-14(13)16;;/h5-12,18H,1,13-15H2,2-4H3;4-10,15,22H,11-12H2,1-3H3;2*1H4/t18-,24+;15-,21+;;/m11../s1.

What are the key properties of methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?

methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one has a molecular weight of 708.99 g/mol, XLogP of 10.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one;(1R,7S)-1,10,10-trimethyl-4-naphthalen-1-yl-3-prop-2-enyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one is sourced from PubChem (CID 159503607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).