N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide

C13H16N2O3 — CID 174675557

IUPACN-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide
SMILESCOc1ccc(C(=O)N2CCCC2NC=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-11-6-4-10(5-7-11)13(17)15-8-2-3-12(15)14-9-16/h4-7,9,12H,2-3,8H2,1H3,(H,14,16)
InChIKeyATJWAIQCAYILAZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.00
Rot. Bonds4

About N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide

N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide (PubChem CID 174675557) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide
PubChem CID174675557
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide
SMILESCOc1ccc(C(=O)N2CCCC2NC=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-11-6-4-10(5-7-11)13(17)15-8-2-3-12(15)14-9-16/h4-7,9,12H,2-3,8H2,1H3,(H,14,16)
InChIKeyATJWAIQCAYILAZ-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
1-[(4aR,8aS)-5-(4-methoxybenzoyl)-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110138263
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[2-(bromomethyl)azepan-1-yl]-(4-methoxyphenyl)methanone
CID 116639403
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
CID 10355250

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide (CID 174675557) is N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide is COc1ccc(C(=O)N2CCCC2NC=O)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide?
The InChIKey is ATJWAIQCAYILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-6-4-10(5-7-11)13(17)15-8-2-3-12(15)14-9-16/h4-7,9,12H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide?
N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide has a molecular weight of 248.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide is sourced from PubChem (CID 174675557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).