4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide

C14H13N3O — CID 143117636

IUPAC4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide
SMILESC=Cc1c(-c2ccc(C(N)=O)cc2)c[nH]c1N=C
InChIInChI=1S/C14H13N3O/c1-3-11-12(8-17-14(11)16-2)9-4-6-10(7-5-9)13(15)18/h3-8,17H,1-2H2,(H2,15,18)
InChIKeyVHTLHNDDGCJZCO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.76
Rot. Bonds4

About 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide

4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide (PubChem CID 143117636) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide.

Molecular Properties

Compound Name4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide
PubChem CID143117636
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide
SMILESC=Cc1c(-c2ccc(C(N)=O)cc2)c[nH]c1N=C
InChIInChI=1S/C14H13N3O/c1-3-11-12(8-17-14(11)16-2)9-4-6-10(7-5-9)13(15)18/h3-8,17H,1-2H2,(H2,15,18)
InChIKeyVHTLHNDDGCJZCO-UHFFFAOYSA-N
XLogP2.76
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 58754724
4-(2-ethylphenyl)benzamide
CID 69080578
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide
CID 158892469
4-ethenyl-3-fluorobenzamide
CID 154814877
4-ethenoxybenzamide
CID 66368618
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
4-(4-ethylphenyl)benzamide
CID 53425878
4-fluoro-3-(4-fluorophenyl)benzamide
CID 46312266
4-(2,3-difluorophenyl)benzamide
CID 18626229
4-[7-hydroxy-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]benzamide
CID 77189155
4-carbamoylbenzenesulfonyl fluoride
CID 54079384

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide?
The IUPAC name of 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide (CID 143117636) is 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide.
What is the SMILES notation for 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide?
The canonical SMILES for 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide is C=Cc1c(-c2ccc(C(N)=O)cc2)c[nH]c1N=C.
What is the InChIKey of 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide?
The InChIKey is VHTLHNDDGCJZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-3-11-12(8-17-14(11)16-2)9-4-6-10(7-5-9)13(15)18/h3-8,17H,1-2H2,(H2,15,18).
What are the key properties of 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide?
4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide has a molecular weight of 239.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide is sourced from PubChem (CID 143117636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).