4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane

C12H20N2O — CID 164865322

IUPAC4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane
SMILESC/C=C\C=N\C1=C(CC)CNC1=O.CC
InChIInChI=1S/C10H14N2O.C2H6/c1-3-5-6-11-9-8(4-2)7-12-10(9)13;1-2/h3,5-6H,4,7H2,1-2H3,(H,12,13);1-2H3/b5-3-,11-6+;
InChIKeyXDXRKROPWXYLND-GHFGPCLASA-N
MW208.31 g/mol
LogP2.45
Rot. Bonds3

About 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane

4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane (PubChem CID 164865322) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane.

Molecular Properties

Compound Name4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane
PubChem CID164865322
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane
SMILESC/C=C\C=N\C1=C(CC)CNC1=O.CC
InChIInChI=1S/C10H14N2O.C2H6/c1-3-5-6-11-9-8(4-2)7-12-10(9)13;1-2/h3,5-6H,4,7H2,1-2H3,(H,12,13);1-2H3/b5-3-,11-6+;
InChIKeyXDXRKROPWXYLND-GHFGPCLASA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-4-[(2E)-2-(fluoromethylidene)butyl]iminobut-2-enamide
CID 173975367
CID 153340924
CID 153340924
Ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
CID 164865273
(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide
CID 166981310
Ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
CID 167479305
ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
CID 178151413
6,7-dihydro-3H-pyrrolo[3,4-b]azepin-8-one
CID 153340925
4-Methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
CID 164865274
4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one
CID 164865323
(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
CID 178151414

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane?
The IUPAC name of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane (CID 164865322) is 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane.
What is the SMILES notation for 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane?
The canonical SMILES for 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane is C/C=C\C=N\C1=C(CC)CNC1=O.CC.
What is the InChIKey of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane?
The InChIKey is XDXRKROPWXYLND-GHFGPCLASA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-3-5-6-11-9-8(4-2)7-12-10(9)13;1-2/h3,5-6H,4,7H2,1-2H3,(H,12,13);1-2H3/b5-3-,11-6+;.
What are the key properties of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane?
4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane has a molecular weight of 208.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane is sourced from PubChem (CID 164865322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).