1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone

C10H14N2O — CID 143088905

IUPAC1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone
SMILESC=CC1=C(/N=C/C)CN(C(C)=O)C1
InChIInChI=1S/C10H14N2O/c1-4-9-6-12(8(3)13)7-10(9)11-5-2/h4-5H,1,6-7H2,2-3H3/b11-5+
InChIKeyJDZLZCHLKLHNEK-VZUCSPMQSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds2

About 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone

1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone (PubChem CID 143088905) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone
PubChem CID143088905
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone
SMILESC=CC1=C(/N=C/C)CN(C(C)=O)C1
InChIInChI=1S/C10H14N2O/c1-4-9-6-12(8(3)13)7-10(9)11-5-2/h4-5H,1,6-7H2,2-3H3/b11-5+
InChIKeyJDZLZCHLKLHNEK-VZUCSPMQSA-N
XLogP1.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
N'-(1-acetyl-4-ethenyl-2,5-dihydropyrrol-3-yl)methanimidamide
CID 142586839
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416254
3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416255
3-(ethylideneamino)-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 167240247
4-Ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
CID 167479306
ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 169120648
1-(2,4,9-Triazabicyclo[5.3.0]deca-1(7),2,4,5-tetraen-9-yl)ethanone
CID 169901296

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone (CID 143088905) is 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone is C=CC1=C(/N=C/C)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone?
The InChIKey is JDZLZCHLKLHNEK-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-9-6-12(8(3)13)7-10(9)11-5-2/h4-5H,1,6-7H2,2-3H3/b11-5+.
What are the key properties of 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone?
1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 143088905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).