5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide

C17H18N2O2 — CID 20708721

IUPAC5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCN(C)C(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H18N2O2/c1-18(2)17(21)13-10-11-19-14(13)8-9-15(19)16(20)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3
InChIKeyLEWXFECERIISHS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.29
Rot. Bonds3

About 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide

5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide (PubChem CID 20708721) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
PubChem CID20708721
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCN(C)C(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H18N2O2/c1-18(2)17(21)13-10-11-19-14(13)8-9-15(19)16(20)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3
InChIKeyLEWXFECERIISHS-UHFFFAOYSA-N
XLogP2.29
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 46861285
2-[(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl]oxyacetic acid
CID 124780812
2-amino-2-(hydroxymethyl)propane-1,3-diol;(1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 73416230
1-methoxycarbonyloxyethyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 166913095
2-hydroxypropyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 129318720
5-[4-(4-methylphenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746953
4-(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxy-4-oxobutanoic acid
CID 72700379
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;butane-1,1,1,2-tetramine
CID 175148406
ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
CID 25148271
5-(3-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487035
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate;2-hydroxyethyl-bis(hydroxymethyl)azanium
CID 42609603
5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 46861336

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide (CID 20708721) is 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is CN(C)C(=O)C1CCn2c(C(=O)c3ccccc3)ccc21.
What is the InChIKey of 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is LEWXFECERIISHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(2)17(21)13-10-11-19-14(13)8-9-15(19)16(20)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 20708721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).