ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one

C17H33NO — CID 144584614

IUPACethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\C)N(C)C(=O)C1.CC.CC.CC
InChIInChI=1S/C11H15NO.3C2H6/c1-4-6-9-8-11(13)12(3)10(9)7-5-2;3*1-2/h4-7H,8H2,1-3H3;3*1-2H3/b6-4-,7-5-;;;
InChIKeyKJYXNMVBEYNXTP-AANDKTPFSA-N
MW267.46 g/mol
LogP5.33
Rot. Bonds2

About ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one

ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 144584614) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID144584614
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Nameethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\C)N(C)C(=O)C1.CC.CC.CC
InChIInChI=1S/C11H15NO.3C2H6/c1-4-6-9-8-11(13)12(3)10(9)7-5-2;3*1-2/h4-7H,8H2,1-3H3;3*1-2H3/b6-4-,7-5-;;;
InChIKeyKJYXNMVBEYNXTP-AANDKTPFSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
CID 145414209
4,5-Bis(ethenyl)-3,3-difluoro-1-methylpyrrol-2-one
CID 145617019
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
CID 134993704
1-methyl-6-[(E)-2-tributylstannylethenyl]-3,4-dihydropyridin-2-one
CID 135008470
3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 166126655
1-[5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydropyrrol-1-yl]-2-methylpropan-1-one
CID 89468908
N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide
CID 123812720
5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 129043575
N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide
CID 134569543
1-[(2S)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2,5-dihydropyrrol-1-yl]-2,2-dimethylbut-3-en-1-one
CID 137469862
(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide
CID 138546730

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The IUPAC name of ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 144584614) is ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C/C=C\C1=C(/C=C\C)N(C)C(=O)C1.CC.CC.CC.
What is the InChIKey of ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is KJYXNMVBEYNXTP-AANDKTPFSA-N. The full InChI is InChI=1S/C11H15NO.3C2H6/c1-4-6-9-8-11(13)12(3)10(9)7-5-2;3*1-2/h4-7H,8H2,1-3H3;3*1-2H3/b6-4-,7-5-;;;.
What are the key properties of ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 267.46 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-2-one is sourced from PubChem (CID 144584614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).