N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide

C11H12N2O — CID 178084213

IUPACN-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide
SMILESO=CNc1ccc(C2=CCNC2)cc1
InChIInChI=1S/C11H12N2O/c14-8-13-11-3-1-9(2-4-11)10-5-6-12-7-10/h1-5,8,12H,6-7H2,(H,13,14)
InChIKeyHABAFYZZNISGRD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.24
Rot. Bonds3

About N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide

N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide (PubChem CID 178084213) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide
PubChem CID178084213
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide
SMILESO=CNc1ccc(C2=CCNC2)cc1
InChIInChI=1S/C11H12N2O/c14-8-13-11-3-1-9(2-4-11)10-5-6-12-7-10/h1-5,8,12H,6-7H2,(H,13,14)
InChIKeyHABAFYZZNISGRD-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
1-N-[4-(aminomethyl)phenyl]-4-N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]benzene-1,4-dicarboxamide
CID 166477004
N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
CID 165118789
ethane;N-(4-methylphenyl)formamide
CID 142066401
N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
CID 168654344
N-(4-formylphenyl)formamide
CID 15314216
N-phenylformamide;pyrrolidine
CID 19102236
N-(4-bromophenyl)formamide;methane
CID 163289567
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
ethane;methylcyclobutane;N-(4-methylphenyl)formamide
CID 143234755
N-(2,3-dihydro-1H-inden-5-yl)formamide
CID 22034196
cesium;hydride;N-phenylformamide
CID 173414611

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide?
The IUPAC name of N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide (CID 178084213) is N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide?
The canonical SMILES for N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide is O=CNc1ccc(C2=CCNC2)cc1.
What is the InChIKey of N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide?
The InChIKey is HABAFYZZNISGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-8-13-11-3-1-9(2-4-11)10-5-6-12-7-10/h1-5,8,12H,6-7H2,(H,13,14).
What are the key properties of N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide?
N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide has a molecular weight of 188.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]formamide is sourced from PubChem (CID 178084213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).