1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one

C17H20N2OS — CID 63992626

IUPAC1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccsc1C(C)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H20N2OS/c1-12-8-10-21-17(12)13(2)18-14-5-3-6-15(11-14)19-9-4-7-16(19)20/h3,5-6,8,10-11,13,18H,4,7,9H2,1-2H3
InChIKeyVRQIWLQRUALFAM-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.36
Rot. Bonds4

About 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one

1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 63992626) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID63992626
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccsc1C(C)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H20N2OS/c1-12-8-10-21-17(12)13(2)18-14-5-3-6-15(11-14)19-9-4-7-16(19)20/h3,5-6,8,10-11,13,18H,4,7,9H2,1-2H3
InChIKeyVRQIWLQRUALFAM-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917295
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 30572946
1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
CID 100660181
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 94652870
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 63992626) is 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one is Cc1ccsc1C(C)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is VRQIWLQRUALFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-8-10-21-17(12)13(2)18-14-5-3-6-15(11-14)19-9-4-7-16(19)20/h3,5-6,8,10-11,13,18H,4,7,9H2,1-2H3.
What are the key properties of 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 300.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63992626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).