4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

C11H15N3 — CID 115572535

IUPAC4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNC2CC2)cc(C#N)n1C
InChIInChI=1S/C11H15N3/c1-8-9(7-13-10-3-4-10)5-11(6-12)14(8)2/h5,10,13H,3-4,7H2,1-2H3
InChIKeyUWGVJEFYKDZTMF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.46
Rot. Bonds3

About 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 115572535) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID115572535
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNC2CC2)cc(C#N)n1C
InChIInChI=1S/C11H15N3/c1-8-9(7-13-10-3-4-10)5-11(6-12)14(8)2/h5,10,13H,3-4,7H2,1-2H3
InChIKeyUWGVJEFYKDZTMF-UHFFFAOYSA-N
XLogP1.46
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopent-3-en-1-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115696433
4-[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile;hydrochloride
CID 47052603
4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581351
1,5-dimethyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]pyrrole-2-carbonitrile
CID 115610921
4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581124
4-[[[(1S,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 124881502
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115644918
4-[[[(3R,4R)-1-acetyl-3-ethylpiperidin-4-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 97097305
1,5-dimethyl-4-[[[(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]pyrrole-2-carbonitrile
CID 95780706
4-[(but-2-ynylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115866355
4-[[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 129005082
4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile
CID 115685826

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 115572535) is 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNC2CC2)cc(C#N)n1C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is UWGVJEFYKDZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-9(7-13-10-3-4-10)5-11(6-12)14(8)2/h5,10,13H,3-4,7H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 115572535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).