N-(3-methylphenyl)pyrrolidine-1-carboxamide

C12H16N2O — CID 2987636

IUPACN-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O/c1-10-5-4-6-11(9-10)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyGBAXIZXGDZHLTH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.62
Rot. Bonds1

About N-(3-methylphenyl)pyrrolidine-1-carboxamide

N-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 2987636) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID2987636
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O/c1-10-5-4-6-11(9-10)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyGBAXIZXGDZHLTH-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 2987636) is N-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is GBAXIZXGDZHLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-5-4-6-11(9-10)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15).
What are the key properties of N-(3-methylphenyl)pyrrolidine-1-carboxamide?
N-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 2987636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).