4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one

C13H23N3O — CID 63905423

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one
SMILESO=C1CC(NC2CCN3CCCC23)CCCN1
InChIInChI=1S/C13H23N3O/c17-13-9-10(3-1-6-14-13)15-11-5-8-16-7-2-4-12(11)16/h10-12,15H,1-9H2,(H,14,17)
InChIKeyFNLOKGWDOQHITC-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.48
Rot. Bonds2

About 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one

4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one (PubChem CID 63905423) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one
PubChem CID63905423
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one
SMILESO=C1CC(NC2CCN3CCCC23)CCCN1
InChIInChI=1S/C13H23N3O/c17-13-9-10(3-1-6-14-13)15-11-5-8-16-7-2-4-12(11)16/h10-12,15H,1-9H2,(H,14,17)
InChIKeyFNLOKGWDOQHITC-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
CID 63887519
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
CID 82852801
4-[(4-hydroxycyclohexyl)amino]azepan-2-one
CID 63889088
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
CID 82853106
4-[(3-ethyl-2-methylcyclopentyl)amino]azepan-2-one
CID 64922556
4-(oxan-3-ylamino)azepan-2-one
CID 63888881
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 63626581
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
CID 63903892
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
N-(1-ethylazepan-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65073555

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one (CID 63905423) is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one is O=C1CC(NC2CCN3CCCC23)CCCN1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one?
The InChIKey is FNLOKGWDOQHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13-9-10(3-1-6-14-13)15-11-5-8-16-7-2-4-12(11)16/h10-12,15H,1-9H2,(H,14,17).
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one?
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one has a molecular weight of 237.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one is sourced from PubChem (CID 63905423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).