3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

C14H22N2O — CID 112698946

IUPAC3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(C(C)C)C2)C1
InChIInChI=1S/C14H22N2O/c1-10(2)12-4-5-16(8-12)13(17)14(9-15)6-11(3)7-14/h10-12H,4-8H2,1-3H3
InChIKeyOGGLQNMGMCDDOU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 112698946) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID112698946
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(C(C)C)C2)C1
InChIInChI=1S/C14H22N2O/c1-10(2)12-4-5-16(8-12)13(17)14(9-15)6-11(3)7-14/h10-12H,4-8H2,1-3H3
InChIKeyOGGLQNMGMCDDOU-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195
1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501388
(1-hydroxycyclopropyl)-[(3R)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176625352
1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
CID 82695487
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 112698946) is 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CCC(C(C)C)C2)C1.
What is the InChIKey of 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is OGGLQNMGMCDDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)12-4-5-16(8-12)13(17)14(9-15)6-11(3)7-14/h10-12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 112698946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).