2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate

C17H25NO2 — CID 176803426

IUPAC2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC1CC2[C@H]3C=CCC3C1C2(C)C
InChIInChI=1S/C17H25NO2/c1-4-15(19)20-9-8-18-14-10-13-11-6-5-7-12(11)16(14)17(13,2)3/h4-6,11-14,16,18H,1,7-10H2,2-3H3/t11-,12?,13?,14?,16?/m0/s1
InChIKeyYDBCXRCPNBOLHB-IKMFHRHGSA-N
MW275.39 g/mol
LogP2.54
Rot. Bonds5

About 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate

2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate (PubChem CID 176803426) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate
PubChem CID176803426
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC1CC2[C@H]3C=CCC3C1C2(C)C
InChIInChI=1S/C17H25NO2/c1-4-15(19)20-9-8-18-14-10-13-11-6-5-7-12(11)16(14)17(13,2)3/h4-6,11-14,16,18H,1,7-10H2,2-3H3/t11-,12?,13?,14?,16?/m0/s1
InChIKeyYDBCXRCPNBOLHB-IKMFHRHGSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate with MolForge

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Related Compounds

2-(3-methyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 88999360
bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
CID 157126575
2-(3a,4,5,6,7,7a-hexahydro-3H-inden-5-ylamino)ethyl prop-2-enoate
CID 176803410
2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate
CID 20607916
2-[[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 155251554
2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 51408723
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl prop-2-enoate
CID 102248229
8-tricyclo[5.2.1.02,6]dec-3-enylmethyl 6-prop-2-enoyloxyhexanoate
CID 163836073
5-(5,6-dimethylcyclohex-3-en-1-yl)pentyl prop-2-enoate
CID 123619501
(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
CID 139639663
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate (CID 176803426) is 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNC1CC2[C@H]3C=CCC3C1C2(C)C.
What is the InChIKey of 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate?
The InChIKey is YDBCXRCPNBOLHB-IKMFHRHGSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-15(19)20-9-8-18-14-10-13-11-6-5-7-12(11)16(14)17(13,2)3/h4-6,11-14,16,18H,1,7-10H2,2-3H3/t11-,12?,13?,14?,16?/m0/s1.
What are the key properties of 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate?
2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate has a molecular weight of 275.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 176803426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).