N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide

C12H21N3O — CID 83072233

IUPACN-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)C(C)CC#N)CCCN1
InChIInChI=1S/C12H21N3O/c1-4-12(7-5-9-14-12)11(16)15(3)10(2)6-8-13/h10,14H,4-7,9H2,1-3H3
InChIKeyATOPIDVFQWYGHF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide

N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 83072233) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide
PubChem CID83072233
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)C(C)CC#N)CCCN1
InChIInChI=1S/C12H21N3O/c1-4-12(7-5-9-14-12)11(16)15(3)10(2)6-8-13/h10,14H,4-7,9H2,1-3H3
InChIKeyATOPIDVFQWYGHF-UHFFFAOYSA-N
XLogP1.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
2-ethyl-N-methyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 83079995
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
1-[1-cyanopropan-2-yl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63228539
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
N-cyclopropyl-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83080870
N-(1-cyanopropan-2-yl)-N,2-dimethylthiolane-2-carboxamide
CID 81451928
N-(2-amino-2-oxoethyl)-2-ethyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83079558
2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83071421
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974598
2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83079551
N-cyclopentyl-2-ethyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 83074108

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide (CID 83072233) is N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide is CCC1(C(=O)N(C)C(C)CC#N)CCCN1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ATOPIDVFQWYGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(7-5-9-14-12)11(16)15(3)10(2)6-8-13/h10,14H,4-7,9H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide?
N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83072233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).