5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C19H30N2O — CID 142766230

IUPAC5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC1=CCC(CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C
InChIInChI=1S/C19H30N2O/c1-13-6-7-14(17(13,2)3)8-15-20-9-18(4)10-21(15)12-19(5,11-20)16(18)22/h6,14-15H,7-12H2,1-5H3
InChIKeyZBZVJBFCHJKAFZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.92
Rot. Bonds2

About 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 142766230) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID142766230
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC1=CCC(CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C
InChIInChI=1S/C19H30N2O/c1-13-6-7-14(17(13,2)3)8-15-20-9-18(4)10-21(15)12-19(5,11-20)16(18)22/h6,14-15H,7-12H2,1-5H3
InChIKeyZBZVJBFCHJKAFZ-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5,5-trimethyl-4-propylcyclopentene
CID 90979763
(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene
CID 163857064
[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl acetate
CID 101036086
1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol
CID 143765861
S-ethyl 2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanethioate
CID 10632352
5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 774622
(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal
CID 25004180
1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene
CID 91102839
(E)-2-ethyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-enal
CID 87757907
2-ethyl-4-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-enal
CID 57290420
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-1-en-1-ol
CID 77391294
1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine
CID 170889531

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 142766230) is 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC1=CCC(CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C.
What is the InChIKey of 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is ZBZVJBFCHJKAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13-6-7-14(17(13,2)3)8-15-20-9-18(4)10-21(15)12-19(5,11-20)16(18)22/h6,14-15H,7-12H2,1-5H3.
What are the key properties of 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 302.46 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 142766230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).