N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide

C14H18N2O — CID 15166839

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESO=C(NC1CCN2CCCC12)c1ccccc1
InChIInChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)15-12-8-10-16-9-4-7-13(12)16/h1-3,5-6,12-13H,4,7-10H2,(H,15,17)
InChIKeyGRPZIKODAMHEFJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.65
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (PubChem CID 15166839) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
PubChem CID15166839
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESO=C(NC1CCN2CCCC12)c1ccccc1
InChIInChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)15-12-8-10-16-9-4-7-13(12)16/h1-3,5-6,12-13H,4,7-10H2,(H,15,17)
InChIKeyGRPZIKODAMHEFJ-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzoylpiperazine
CID 762654
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
N-Isopropylbenzamide
CID 79503
N-4-Piperidylbenzamide
CID 118120
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-(2-aminoethyl)benzamide
CID 423156
N-Cyclohexylbenzamide
CID 15657
N-(2-(Diethylamino)ethyl)benzamide
CID 19400
N-(2-(Dimethylamino)ethyl)benzamide
CID 113158
N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]benzamide
CID 25218668
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
N-(2-oxoazepan-3-yl)benzamide
CID 2813197

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (CID 15166839) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is O=C(NC1CCN2CCCC12)c1ccccc1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The InChIKey is GRPZIKODAMHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)15-12-8-10-16-9-4-7-13(12)16/h1-3,5-6,12-13H,4,7-10H2,(H,15,17).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide has a molecular weight of 230.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is sourced from PubChem (CID 15166839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).