3-(2,5-dihydropyrrol-1-yl)benzamide

C11H12N2O — CID 90286995

IUPAC3-(2,5-dihydropyrrol-1-yl)benzamide
SMILESNC(=O)c1cccc(N2CC=CC2)c1
InChIInChI=1S/C11H12N2O/c12-11(14)9-4-3-5-10(8-9)13-6-1-2-7-13/h1-5,8H,6-7H2,(H2,12,14)
InChIKeyAYHFMGZLWNVDBA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.16
Rot. Bonds2

About 3-(2,5-dihydropyrrol-1-yl)benzamide

3-(2,5-dihydropyrrol-1-yl)benzamide (PubChem CID 90286995) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)benzamide
PubChem CID90286995
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(2,5-dihydropyrrol-1-yl)benzamide
SMILESNC(=O)c1cccc(N2CC=CC2)c1
InChIInChI=1S/C11H12N2O/c12-11(14)9-4-3-5-10(8-9)13-6-1-2-7-13/h1-5,8H,6-7H2,(H2,12,14)
InChIKeyAYHFMGZLWNVDBA-UHFFFAOYSA-N
XLogP1.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.16
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-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
methyl 3-(3,6-dihydro-2H-pyridin-1-yl)benzoate
CID 91586710
3-carbamoylbenzoic acid
CID 3014284
3-hydrazinylbenzamide;hydrochloride
CID 90487444
CID 153486649
CID 153486649
3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide
CID 78051323
3-indol-1-ylbenzamide;hydrochloride
CID 70409706
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(1,3-dihydroisoindol-2-yl)benzoic acid
CID 937745
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
3-(1,4-diazabicyclo[2.2.1]heptan-7-yl)benzamide
CID 90881163
3-piperidin-1-ylbenzenecarbothioamide
CID 39244570

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)benzamide?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)benzamide (CID 90286995) is 3-(2,5-dihydropyrrol-1-yl)benzamide.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)benzamide?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)benzamide is NC(=O)c1cccc(N2CC=CC2)c1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)benzamide?
The InChIKey is AYHFMGZLWNVDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(14)9-4-3-5-10(8-9)13-6-1-2-7-13/h1-5,8H,6-7H2,(H2,12,14).
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)benzamide?
3-(2,5-dihydropyrrol-1-yl)benzamide has a molecular weight of 188.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)benzamide is sourced from PubChem (CID 90286995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).