(1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one

C12H19NO — CID 102188286

IUPAC(1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one
SMILESC=CC[C@H]1C[C@@H]2CCC[C@H](C1)C(=O)N2
InChIInChI=1S/C12H19NO/c1-2-4-9-7-10-5-3-6-11(8-9)13-12(10)14/h2,9-11H,1,3-8H2,(H,13,14)/t9-,10-,11+/m1/s1
InChIKeyCCGDZOOXBIQTSW-MXWKQRLJSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds2

About (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one

(1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one (PubChem CID 102188286) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one
PubChem CID102188286
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one
SMILESC=CC[C@H]1C[C@@H]2CCC[C@H](C1)C(=O)N2
InChIInChI=1S/C12H19NO/c1-2-4-9-7-10-5-3-6-11(8-9)13-12(10)14/h2,9-11H,1,3-8H2,(H,13,14)/t9-,10-,11+/m1/s1
InChIKeyCCGDZOOXBIQTSW-MXWKQRLJSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 97036655
carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene
CID 70500891
2-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
CID 70630753
carbonic acid;prop-2-enylcyclopropane
CID 67833665
1-bromo-3-prop-2-enylcyclohexane
CID 64508046
(1R,5S)-2,4-diazabicyclo[3.3.1]nonane-3-thione
CID 155166805
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
3-prop-2-enylcycloheptan-1-one
CID 11378603
(3R,5S)-5-methyl-3-prop-2-enylpyrrolidin-2-one
CID 55300790
2-prop-2-enyl-6-(4-prop-2-enylcyclohexyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 173081121
(1R,5R,6S)-6-ethenylbicyclo[3.2.1]octan-8-one
CID 130765194
4-prop-2-enyloxan-2-one
CID 10558704

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one (CID 102188286) is (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one is C=CC[C@H]1C[C@@H]2CCC[C@H](C1)C(=O)N2.
What is the InChIKey of (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one?
The InChIKey is CCGDZOOXBIQTSW-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-4-9-7-10-5-3-6-11(8-9)13-12(10)14/h2,9-11H,1,3-8H2,(H,13,14)/t9-,10-,11+/m1/s1.
What are the key properties of (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one?
(1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one has a molecular weight of 193.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-3-prop-2-enyl-9-azabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 102188286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).