N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide

C15H20N2O — CID 12833600

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide
SMILESO=C(NCC12CCCN1CCC2)c1ccccc1
InChIInChI=1S/C15H20N2O/c18-14(13-6-2-1-3-7-13)16-12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7H,4-5,8-12H2,(H,16,18)
InChIKeyOKZFZITTWAEIIW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.04
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide (PubChem CID 12833600) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide
PubChem CID12833600
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide
SMILESO=C(NCC12CCCN1CCC2)c1ccccc1
InChIInChI=1S/C15H20N2O/c18-14(13-6-2-1-3-7-13)16-12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7H,4-5,8-12H2,(H,16,18)
InChIKeyOKZFZITTWAEIIW-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113158
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
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CID 16227894
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CID 11624012
3-(3-fluoropropyl)-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
CID 90656834
2-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzamide
CID 2449503
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CID 2977354

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide (CID 12833600) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide is O=C(NCC12CCCN1CCC2)c1ccccc1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide?
The InChIKey is OKZFZITTWAEIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(13-6-2-1-3-7-13)16-12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7H,4-5,8-12H2,(H,16,18).
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide has a molecular weight of 244.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)benzamide is sourced from PubChem (CID 12833600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).