(6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one

C13H21NO — CID 134947919

IUPAC(6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one
SMILESC=CC[C@@H]1C(=O)CC2CCCC[C@@H]1N2C
InChIInChI=1S/C13H21NO/c1-3-6-11-12-8-5-4-7-10(14(12)2)9-13(11)15/h3,10-12H,1,4-9H2,2H3/t10?,11-,12-/m0/s1
InChIKeyQIUZZFFHVZWPTF-RAMGSTBQSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds2

About (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one

(6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one (PubChem CID 134947919) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one.

Molecular Properties

Compound Name(6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one
PubChem CID134947919
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one
SMILESC=CC[C@@H]1C(=O)CC2CCCC[C@@H]1N2C
InChIInChI=1S/C13H21NO/c1-3-6-11-12-8-5-4-7-10(14(12)2)9-13(11)15/h3,10-12H,1,4-9H2,2H3/t10?,11-,12-/m0/s1
InChIKeyQIUZZFFHVZWPTF-RAMGSTBQSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2,8-bis(prop-2-enyl)-8-azabicyclo[3.2.1]octan-3-one
CID 134947963
(1S,2S)-9-methyl-2-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-one
CID 134965756
(1S,2S)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 134966008
(1S,5R)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234243
(1R,2R,5S)-9-methyl-2-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-one
CID 71769716
2-(1-Pent-4-enylpiperidin-2-yl)cyclopentan-1-one
CID 79545226
2-(1-But-3-enylpiperidin-2-yl)cyclopentan-1-one
CID 79545384
2-(1-But-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one
CID 79545767
2-(1-But-3-enylpiperidin-2-yl)cyclohexan-1-one
CID 79552794
2-(1-But-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one
CID 79552803
2-(1-Pent-4-enylpiperidin-2-yl)cyclohexan-1-one
CID 79553177
(1R,2R,5S)-2,8-bis(prop-2-enyl)-8-azabicyclo[3.2.1]octan-3-one
CID 102098120

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one?
The IUPAC name of (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one (CID 134947919) is (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one.
What is the SMILES notation for (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one?
The canonical SMILES for (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one is C=CC[C@@H]1C(=O)CC2CCCC[C@@H]1N2C.
What is the InChIKey of (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one?
The InChIKey is QIUZZFFHVZWPTF-RAMGSTBQSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-11-12-8-5-4-7-10(14(12)2)9-13(11)15/h3,10-12H,1,4-9H2,2H3/t10?,11-,12-/m0/s1.
What are the key properties of (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one?
(6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one has a molecular weight of 207.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-10-methyl-7-prop-2-enyl-10-azabicyclo[4.3.1]decan-8-one is sourced from PubChem (CID 134947919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).