1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one

C17H27NO — CID 70864684

IUPAC1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one
SMILESCC1=C(C2CCCC(=O)N2C)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C17H27NO/c1-11-12-9-10-17(4,16(12,2)3)15(11)13-7-6-8-14(19)18(13)5/h12-13H,6-10H2,1-5H3/t12-,13?,17+/m1/s1
InChIKeyVULDAHZUJOGMQP-KOHRXURCSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds1

About 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one

1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one (PubChem CID 70864684) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one
PubChem CID70864684
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one
SMILESCC1=C(C2CCCC(=O)N2C)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C17H27NO/c1-11-12-9-10-17(4,16(12,2)3)15(11)13-7-6-8-14(19)18(13)5/h12-13H,6-10H2,1-5H3/t12-,13?,17+/m1/s1
InChIKeyVULDAHZUJOGMQP-KOHRXURCSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one with MolForge

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Related Compounds

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1,8,8-trimethylbicyclo[3.2.1]octane-2,3,4-trione
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(7R)-1-methyl-7-prop-2-enylazepan-2-one
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14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one
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sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
(1R,3Z,4R)-1,7,7-trimethyl-3-[(2Z)-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethylidene]bicyclo[2.2.1]heptan-2-one
CID 98103030
6-fluoro-1-[(1S)-2,3,4-trimethylcyclobut-2-ene-1-carbonyl]piperidin-2-one
CID 88869523
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
(3E)-3-ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 59931498
6-hydroxy-1,5,5-trimethylpiperidin-2-one
CID 54231339
(1S,3Z,4R)-3-ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7158988
1-methyl-7-[3-(trifluoromethyl)-1,2-oxazol-4-yl]azepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one?
The IUPAC name of 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one (CID 70864684) is 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one?
The canonical SMILES for 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one is CC1=C(C2CCCC(=O)N2C)[C@]2(C)CC[C@H]1C2(C)C.
What is the InChIKey of 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one?
The InChIKey is VULDAHZUJOGMQP-KOHRXURCSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-12-9-10-17(4,16(12,2)3)15(11)13-7-6-8-14(19)18(13)5/h12-13H,6-10H2,1-5H3/t12-,13?,17+/m1/s1.
What are the key properties of 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one?
1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one has a molecular weight of 261.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(1R,4R)-1,3,7,7-tetramethyl-2-bicyclo[2.2.1]hept-2-enyl]piperidin-2-one is sourced from PubChem (CID 70864684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).