1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile

C11H12N2O2S — CID 81122408

IUPAC1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
SMILESCOc1ccsc1C(=O)N1CCCC1C#N
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-6-16-10(9)11(14)13-5-2-3-8(13)7-12/h4,6,8H,2-3,5H2,1H3
InChIKeyCETIAQVTFYYIIC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile

1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile (PubChem CID 81122408) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
PubChem CID81122408
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
SMILESCOc1ccsc1C(=O)N1CCCC1C#N
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-6-16-10(9)11(14)13-5-2-3-8(13)7-12/h4,6,8H,2-3,5H2,1H3
InChIKeyCETIAQVTFYYIIC-UHFFFAOYSA-N
XLogP1.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
1-(3-ethylthiophene-2-carbonyl)piperidine-2-carbonitrile
CID 79975737
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 129430320
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 124596288
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119597034
1-(4-bromo-2-methoxybenzoyl)pyrrolidine-2-carbonitrile
CID 115369074
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122591

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile (CID 81122408) is 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile is COc1ccsc1C(=O)N1CCCC1C#N.
What is the InChIKey of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile?
The InChIKey is CETIAQVTFYYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-9-4-6-16-10(9)11(14)13-5-2-3-8(13)7-12/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile?
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile has a molecular weight of 236.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 81122408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).