N-prop-2-enyl-3-pyrrol-1-ylbenzamide

C14H14N2O — CID 35154530

IUPACN-prop-2-enyl-3-pyrrol-1-ylbenzamide
SMILESC=CCNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C14H14N2O/c1-2-8-15-14(17)12-6-5-7-13(11-12)16-9-3-4-10-16/h2-7,9-11H,1,8H2,(H,15,17)
InChIKeyNWEBFVITBZNRSZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.39
Rot. Bonds4

About N-prop-2-enyl-3-pyrrol-1-ylbenzamide

N-prop-2-enyl-3-pyrrol-1-ylbenzamide (PubChem CID 35154530) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-prop-2-enyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-pyrrol-1-ylbenzamide
PubChem CID35154530
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-prop-2-enyl-3-pyrrol-1-ylbenzamide
SMILESC=CCNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C14H14N2O/c1-2-8-15-14(17)12-6-5-7-13(11-12)16-9-3-4-10-16/h2-7,9-11H,1,8H2,(H,15,17)
InChIKeyNWEBFVITBZNRSZ-UHFFFAOYSA-N
XLogP2.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 115776195
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
3-cyano-N-prop-2-enylbenzamide
CID 24701030
N-prop-2-enylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 134799840
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
3-nitro-N-prop-2-enylbenzamide
CID 2832220

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-prop-2-enyl-3-pyrrol-1-ylbenzamide (CID 35154530) is N-prop-2-enyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-prop-2-enyl-3-pyrrol-1-ylbenzamide is C=CCNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
The InChIKey is NWEBFVITBZNRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-8-15-14(17)12-6-5-7-13(11-12)16-9-3-4-10-16/h2-7,9-11H,1,8H2,(H,15,17).
What are the key properties of N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
N-prop-2-enyl-3-pyrrol-1-ylbenzamide has a molecular weight of 226.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 35154530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).