ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one

C12H23NO — CID 168980590

IUPACethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one
SMILESC/C=C\CCC(=O)N1CCCC1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-2-3-4-7-10(12)11-8-5-6-9-11;1-2/h2-3H,4-9H2,1H3;1-2H3/b3-2-;
InChIKeyYWCRTHHOMDYDTL-OLGQORCHSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds3

About ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one

ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one (PubChem CID 168980590) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one
PubChem CID168980590
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one
SMILESC/C=C\CCC(=O)N1CCCC1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-2-3-4-7-10(12)11-8-5-6-9-11;1-2/h2-3H,4-9H2,1H3;1-2H3/b3-2-;
InChIKeyYWCRTHHOMDYDTL-OLGQORCHSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,11Z,14Z)-1-pyrrolidin-1-ylicosa-5,8,11,14-tetraen-1-one
CID 44270398
1-Pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567
4-Pentenamide, N,N-diethyl-
CID 547369
1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
2-Pyrrolidinone, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
CID 6442887
1-[(1E,3E)-octa-1,3-dienyl]pyrrolidin-2-one
CID 135078422
l-Geranylazacyclopentan-2-one
CID 24875474
3-Methyl-1-pyrrolidin-1-ylpent-4-en-1-one
CID 118493260
1-(Pyrrolidin-1-yl)hex-5-en-1-one
CID 168267356
1-[(3E,5E)-6-fluoro-2-methylhepta-3,5-dienyl]pyrrolidin-2-one
CID 142425647
(3E,5E)-6-fluoro-3-methyl-1-pyrrolidin-1-ylhepta-3,5-dien-1-one
CID 168918340
2-Pyrrolidinone, 1-(9-octadecenyl)-
CID 5369144

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
The IUPAC name of ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one (CID 168980590) is ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one.
What is the SMILES notation for ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
The canonical SMILES for ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one is C/C=C\CCC(=O)N1CCCC1.CC.
What is the InChIKey of ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
The InChIKey is YWCRTHHOMDYDTL-OLGQORCHSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-2-3-4-7-10(12)11-8-5-6-9-11;1-2/h2-3H,4-9H2,1H3;1-2H3/b3-2-;.
What are the key properties of ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-pyrrolidin-1-ylhex-4-en-1-one is sourced from PubChem (CID 168980590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).