N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C12H21N3O — CID 106980594

IUPACN-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C#N)CNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C12H21N3O/c1-9(2)12(4-5-14-8-12)11(16)15-7-10(3)6-13/h9-10,14H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyIHGLGTGYUQOCEW-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.90
Rot. Bonds4

About N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980594) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980594
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C#N)CNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C12H21N3O/c1-9(2)12(4-5-14-8-12)11(16)15-7-10(3)6-13/h9-10,14H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyIHGLGTGYUQOCEW-UHFFFAOYSA-N
XLogP0.90
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981317
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106255200
N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
CID 127001216
N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106047817

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980594) is N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C#N)CNC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IHGLGTGYUQOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12(4-5-14-8-12)11(16)15-7-10(3)6-13/h9-10,14H,4-5,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).