1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

C12H18N2O — CID 83227382

IUPAC1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCCC1CCC(C)N1C(=O)C1(C#N)CC1
InChIInChI=1S/C12H18N2O/c1-3-10-5-4-9(2)14(10)11(15)12(8-13)6-7-12/h9-10H,3-7H2,1-2H3
InChIKeyNRPMEXOSZUSRRA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 83227382) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID83227382
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCCC1CCC(C)N1C(=O)C1(C#N)CC1
InChIInChI=1S/C12H18N2O/c1-3-10-5-4-9(2)14(10)11(15)12(8-13)6-7-12/h9-10H,3-7H2,1-2H3
InChIKeyNRPMEXOSZUSRRA-UHFFFAOYSA-N
XLogP2.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 83227553
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 83227370
methyl N-cyano-2-ethyl-5-methylpyrrolidine-1-carboximidothioate
CID 83228006
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83219110
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 102780747
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599226
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 83227382) is 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is CCC1CCC(C)N1C(=O)C1(C#N)CC1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is NRPMEXOSZUSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10-5-4-9(2)14(10)11(15)12(8-13)6-7-12/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 83227382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).