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

C15H20N2O — CID 10657954

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide
SMILESO=CN(CC12CCCN1CCC2)c1ccccc1
InChIInChI=1S/C15H20N2O/c18-13-16(14-6-2-1-3-7-14)12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7,13H,4-5,8-12H2
InChIKeySPKWVXVYHMKXQH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.28
Rot. Bonds4

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

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide (PubChem CID 10657954) 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)-N-phenylformamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide
PubChem CID10657954
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide
SMILESO=CN(CC12CCCN1CCC2)c1ccccc1
InChIInChI=1S/C15H20N2O/c18-13-16(14-6-2-1-3-7-14)12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7,13H,4-5,8-12H2
InChIKeySPKWVXVYHMKXQH-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide (CID 10657954) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide is O=CN(CC12CCCN1CCC2)c1ccccc1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide?
The InChIKey is SPKWVXVYHMKXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-13-16(14-6-2-1-3-7-14)12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7,13H,4-5,8-12H2.
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-phenylformamide has a molecular weight of 244.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 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)-N-phenylformamide is sourced from PubChem (CID 10657954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).