(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone

C17H24N2O — CID 119737819

IUPAC(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCCCC1c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(15-10-11-18-13-15)19-12-6-2-5-9-16(19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18H,2,5-6,9-13H2
InChIKeyBOUGZSWMFSRVGM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.74
Rot. Bonds2

About (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone

(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 119737819) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID119737819
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCCCC1c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(15-10-11-18-13-15)19-12-6-2-5-9-16(19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18H,2,5-6,9-13H2
InChIKeyBOUGZSWMFSRVGM-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119299890
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069

Frequently Asked Questions

What is the IUPAC name of (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone (CID 119737819) is (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCCCCC1c1ccccc1.
What is the InChIKey of (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is BOUGZSWMFSRVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(15-10-11-18-13-15)19-12-6-2-5-9-16(19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18H,2,5-6,9-13H2.
What are the key properties of (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone?
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119737819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).