4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one

C12H23N3O — CID 63889082

IUPAC4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one
SMILESCCN(C1CCNC1)C1CCCNC(=O)C1
InChIInChI=1S/C12H23N3O/c1-2-15(11-5-7-13-9-11)10-4-3-6-14-12(16)8-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyYFEUOPKUZGULRU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds3

About 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one

4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one (PubChem CID 63889082) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one
PubChem CID63889082
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one
SMILESCCN(C1CCNC1)C1CCCNC(=O)C1
InChIInChI=1S/C12H23N3O/c1-2-15(11-5-7-13-9-11)10-4-3-6-14-12(16)8-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyYFEUOPKUZGULRU-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(piperidin-4-yl)amino]azepan-2-one
CID 63886911
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one
CID 106639774
ethyl 2-[cyclopropyl-(2-oxoazepan-4-yl)amino]acetate
CID 63887111
N-(2,6-dimethylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299544
N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
CID 65086175
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813
N-ethyl-N-(4-ethylcyclohexyl)pyrrolidin-3-amine
CID 63299411
4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one
CID 104554159
N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
CID 65077931
N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrolidin-3-amine
CID 63299597

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one?
The IUPAC name of 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one (CID 63889082) is 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one.
What is the SMILES notation for 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one?
The canonical SMILES for 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one is CCN(C1CCNC1)C1CCCNC(=O)C1.
What is the InChIKey of 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one?
The InChIKey is YFEUOPKUZGULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-15(11-5-7-13-9-11)10-4-3-6-14-12(16)8-10/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one?
4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one is sourced from PubChem (CID 63889082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).