1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane

C14H27NO — CID 144885779

IUPAC1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane
SMILESC/C=C1/CCN(C(C)=O)/C1=C/C.CC.CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-9-6-7-11(8(3)12)10(9)5-2;2*1-2/h4-5H,6-7H2,1-3H3;2*1-2H3/b9-4-,10-5+;;
InChIKeyGZEQRZYUNIXNLU-ASQDCFOUSA-N
MW225.38 g/mol
LogP4.14
Rot. Bonds

About 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane

1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane (PubChem CID 144885779) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane
PubChem CID144885779
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane
SMILESC/C=C1/CCN(C(C)=O)/C1=C/C.CC.CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-9-6-7-11(8(3)12)10(9)5-2;2*1-2/h4-5H,6-7H2,1-3H3;2*1-2H3/b9-4-,10-5+;;
InChIKeyGZEQRZYUNIXNLU-ASQDCFOUSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
1-(4-(Pyrrolidin-1-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone
CID 14105595
3,5,7-trimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-azepin-2-one
CID 15491
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1-(4,6-Difluoro-5-methylcyclohepta-1,4,6-trien-1-yl)pyrrolidin-2-one
CID 144983836
10-methyl-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]azepin-6-one
CID 11298275
10-Methyl-2,3,7,8-tetrahydropyrido[1,2-a]azepin-4(6h)-one
CID 11446659
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one
CID 121153
7-tert-butyl-2,3-dihydro-1H-indolizin-5-one
CID 86102371
7-propyl-2,3-dihydro-1H-indolizin-5-one
CID 86102422
6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one
CID 86245053

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane?
The IUPAC name of 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane (CID 144885779) is 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane is C/C=C1/CCN(C(C)=O)/C1=C/C.CC.CC.
What is the InChIKey of 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane?
The InChIKey is GZEQRZYUNIXNLU-ASQDCFOUSA-N. The full InChI is InChI=1S/C10H15NO.2C2H6/c1-4-9-6-7-11(8(3)12)10(9)5-2;2*1-2/h4-5H,6-7H2,1-3H3;2*1-2H3/b9-4-,10-5+;;.
What are the key properties of 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane?
1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane has a molecular weight of 225.38 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane is sourced from PubChem (CID 144885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).