1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

C11H16N2O2 — CID 102780747

IUPAC1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CC2)C1CO
InChIInChI=1S/C11H16N2O2/c1-8-2-5-13(9(8)6-14)10(15)11(7-12)3-4-11/h8-9,14H,2-6H2,1H3
InChIKeyKGENCMVETIPBDM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.52
Rot. Bonds2

About 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 102780747) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID102780747
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CC2)C1CO
InChIInChI=1S/C11H16N2O2/c1-8-2-5-13(9(8)6-14)10(15)11(7-12)3-4-11/h8-9,14H,2-6H2,1H3
InChIKeyKGENCMVETIPBDM-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 102780745
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 102780761
[1-(aminomethyl)cyclopropyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778470
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 62331229
1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 79005828
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599226
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 102780747) is 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is CC1CCN(C(=O)C2(C#N)CC2)C1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is KGENCMVETIPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-2-5-13(9(8)6-14)10(15)11(7-12)3-4-11/h8-9,14H,2-6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 102780747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).