2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one

C17H26N2O2 — CID 60939455

IUPAC2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1c1cccc(OC)c1
InChIInChI=1S/C17H26N2O2/c1-3-4-9-15(18)17(20)19-11-6-10-16(19)13-7-5-8-14(12-13)21-2/h5,7-8,12,15-16H,3-4,6,9-11,18H2,1-2H3
InChIKeyRBKOARQCQLSSGI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.88
Rot. Bonds6

About 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one

2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 60939455) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID60939455
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1c1cccc(OC)c1
InChIInChI=1S/C17H26N2O2/c1-3-4-9-15(18)17(20)19-11-6-10-16(19)13-7-5-8-14(12-13)21-2/h5,7-8,12,15-16H,3-4,6,9-11,18H2,1-2H3
InChIKeyRBKOARQCQLSSGI-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 60938999
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 76894813
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 82013930
(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 81082575

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one (CID 60939455) is 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCCC1c1cccc(OC)c1.
What is the InChIKey of 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is RBKOARQCQLSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-9-15(18)17(20)19-11-6-10-16(19)13-7-5-8-14(12-13)21-2/h5,7-8,12,15-16H,3-4,6,9-11,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one?
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 60939455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).