1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one

C19H28N2O — CID 124692957

IUPAC1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCC1CCCCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H28N2O/c1-15(20-14-16-7-3-2-4-8-16)17-9-5-10-18(13-17)21-12-6-11-19(21)22/h5,9-10,13,15-16,20H,2-4,6-8,11-12,14H2,1H3/t15-/m0/s1
InChIKeyGGISHNHSLFJGBV-HNNXBMFYSA-N
MW300.45 g/mol
LogP4.04
Rot. Bonds5

About 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one

1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one (PubChem CID 124692957) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
PubChem CID124692957
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCC1CCCCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H28N2O/c1-15(20-14-16-7-3-2-4-8-16)17-9-5-10-18(13-17)21-12-6-11-19(21)22/h5,9-10,13,15-16,20H,2-4,6-8,11-12,14H2,1H3/t15-/m0/s1
InChIKeyGGISHNHSLFJGBV-HNNXBMFYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 60614108
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1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
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(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 95242893
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one (CID 124692957) is 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one is C[C@H](NCC1CCCCC1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is GGISHNHSLFJGBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(20-14-16-7-3-2-4-8-16)17-9-5-10-18(13-17)21-12-6-11-19(21)22/h5,9-10,13,15-16,20H,2-4,6-8,11-12,14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one?
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 300.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 124692957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).