(9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one

C12H17NO — CID 162419740

IUPAC(9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one
SMILESC=C/C1=C/CCC(=O)CN2CCCC12
InChIInChI=1S/C12H17NO/c1-2-10-5-3-6-11(14)9-13-8-4-7-12(10)13/h2,5,12H,1,3-4,6-9H2/b10-5-
InChIKeyWAJPYQGOFAKQMC-YHYXMXQVSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds1

About (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one

(9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one (PubChem CID 162419740) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one.

Molecular Properties

Compound Name(9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one
PubChem CID162419740
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one
SMILESC=C/C1=C/CCC(=O)CN2CCCC12
InChIInChI=1S/C12H17NO/c1-2-10-5-3-6-11(14)9-13-8-4-7-12(10)13/h2,5,12H,1,3-4,6-9H2/b10-5-
InChIKeyWAJPYQGOFAKQMC-YHYXMXQVSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one with MolForge

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Related Compounds

3,5,8,8a-tetrahydro-2H-indolizin-1-one
CID 10920568
1-pentyl-7,7a-dihydro-2H-indol-3-one
CID 67760388
1-[1-[(2Z,4E,7E,9Z)-7-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)dodeca-2,7,9,11-tetraen-5-yl]pyrrolidin-2-yl]ethanone
CID 89953278
1-[1,5-dimethyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;ethane
CID 141808424
1-[1,4-dimethyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone
CID 141808440
1-[1,4-dimethyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;propane
CID 141835292
1-[1,5-dimethyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;propane
CID 141835299
1-[1,4-dimethyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;ethane
CID 141835302
ethane;1-[5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-methylpyrrolidin-2-yl]ethanone
CID 142819934
1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone
CID 143036444
1-(5-Cyclohexa-1,5-dien-1-yl-1-methylpyrrolidin-2-yl)ethanone
CID 143036569
ethane;(4E)-4-[(Z)-prop-1-enyl]-3-pyrrolidin-1-ylhepta-4,6-dien-2-one
CID 144076392

Frequently Asked Questions

What is the IUPAC name of (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one?
The IUPAC name of (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one (CID 162419740) is (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one.
What is the SMILES notation for (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one?
The canonical SMILES for (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one is C=C/C1=C/CCC(=O)CN2CCCC12.
What is the InChIKey of (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one?
The InChIKey is WAJPYQGOFAKQMC-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-10-5-3-6-11(14)9-13-8-4-7-12(10)13/h2,5,12H,1,3-4,6-9H2/b10-5-.
What are the key properties of (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one?
(9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one has a molecular weight of 191.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-10-ethenyl-2,3,5,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-one is sourced from PubChem (CID 162419740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).