4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one

C14H25N3O — CID 63903892

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
SMILESO=C1CC(NCC2CCN(C3CC3)C2)CCCN1
InChIInChI=1S/C14H25N3O/c18-14-8-12(2-1-6-15-14)16-9-11-5-7-17(10-11)13-3-4-13/h11-13,16H,1-10H2,(H,15,18)
InChIKeyQLBGNCJULDVQLZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds4

About 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one

4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one (PubChem CID 63903892) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
PubChem CID63903892
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
SMILESO=C1CC(NCC2CCN(C3CC3)C2)CCCN1
InChIInChI=1S/C14H25N3O/c18-14-8-12(2-1-6-15-14)16-9-11-5-7-17(10-11)13-3-4-13/h11-13,16H,1-10H2,(H,15,18)
InChIKeyQLBGNCJULDVQLZ-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 64623574
4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
CID 115302335
1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79458392
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
CID 155891929
4-(2-aminoethylamino)azepan-2-one
CID 63887291
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
CID 54920980
4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
CID 63887519
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one
CID 63905423
1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one
CID 54881070
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine
CID 65073267
4-(4-hydroxybutylamino)azepan-2-one
CID 106841878

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one (CID 63903892) is 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one is O=C1CC(NCC2CCN(C3CC3)C2)CCCN1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one?
The InChIKey is QLBGNCJULDVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14-8-12(2-1-6-15-14)16-9-11-5-7-17(10-11)13-3-4-13/h11-13,16H,1-10H2,(H,15,18).
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one?
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one has a molecular weight of 251.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one is sourced from PubChem (CID 63903892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).