3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile

C10H13N3O — CID 115247892

IUPAC3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)c1ccc[nH]1
InChIInChI=1S/C10H13N3O/c1-13(9-3-2-4-12-9)6-10(5-11)7-14-8-10/h2-4,12H,6-8H2,1H3
InChIKeyLGEXYAAPSLMCIC-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.99
Rot. Bonds3

About 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile

3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247892) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247892
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)c1ccc[nH]1
InChIInChI=1S/C10H13N3O/c1-13(9-3-2-4-12-9)6-10(5-11)7-14-8-10/h2-4,12H,6-8H2,1H3
InChIKeyLGEXYAAPSLMCIC-UHFFFAOYSA-N
XLogP0.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
3-[(N,4-dimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247842
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247864
3-[(4-methoxy-N,2,3-trimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247896
3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248197
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376
3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248060
3-[[3,4-dihydro-2H-chromen-6-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247900
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247936

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile (CID 115247892) is 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile is CN(CC1(C#N)COC1)c1ccc[nH]1.
What is the InChIKey of 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is LGEXYAAPSLMCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(9-3-2-4-12-9)6-10(5-11)7-14-8-10/h2-4,12H,6-8H2,1H3.
What are the key properties of 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile?
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).