1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile

C11H15N3 — CID 116958677

IUPAC1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1cc[nH]c1)C1(C#N)CCC1
InChIInChI=1S/C11H15N3/c1-13-10(9-3-6-14-7-9)11(8-12)4-2-5-11/h3,6-7,10,13-14H,2,4-5H2,1H3
InChIKeyLQOMJMWSCGXUTN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.97
Rot. Bonds3

About 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile

1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958677) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
PubChem CID116958677
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1cc[nH]c1)C1(C#N)CCC1
InChIInChI=1S/C11H15N3/c1-13-10(9-3-6-14-7-9)11(8-12)4-2-5-11/h3,6-7,10,13-14H,2,4-5H2,1H3
InChIKeyLQOMJMWSCGXUTN-UHFFFAOYSA-N
XLogP1.97
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958953
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
1-[2,3-dihydro-1,4-benzodioxin-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958640
1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958693
1-[1-benzothiophen-3-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958720
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958696
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958684
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958669

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile (CID 116958677) is 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile is CNC(c1cc[nH]c1)C1(C#N)CCC1.
What is the InChIKey of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is LQOMJMWSCGXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-13-10(9-3-6-14-7-9)11(8-12)4-2-5-11/h3,6-7,10,13-14H,2,4-5H2,1H3.
What are the key properties of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile?
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).