1-methylimidazolidine-4-carbonitrile

C5H9N3 — CID 67242160

IUPAC1-methylimidazolidine-4-carbonitrile
SMILESCN1CNC(C#N)C1
InChIInChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h5,7H,3-4H2,1H3
InChIKeyGRNTWDSYZZCAPA-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.63
Rot. Bonds

About 1-methylimidazolidine-4-carbonitrile

1-methylimidazolidine-4-carbonitrile (PubChem CID 67242160) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-methylimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name1-methylimidazolidine-4-carbonitrile
PubChem CID67242160
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-methylimidazolidine-4-carbonitrile
SMILESCN1CNC(C#N)C1
InChIInChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h5,7H,3-4H2,1H3
InChIKeyGRNTWDSYZZCAPA-UHFFFAOYSA-N
XLogP-0.63
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1,3,5-triazinan-2-yl)cyanamide
CID 22946092
1-methyl-4-propan-2-ylimidazolidine
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(3R)-1-methylpyrrolidine-3-carbonitrile
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CID 177173282
CID 177173282
ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine
CID 143348607
1,4-dimethyl-1,4-diazepane-2-carbonitrile
CID 71757191
(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
CID 98235660
(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
1,2-dimethylpyrrolidine-3-carbonitrile
CID 76609008
1-methylpiperidine-4-carbonitrile
CID 11789206
4-methylpiperidine-2-carbonitrile
CID 18928247
1-(trideuteriomethyl)aziridine-2-carbonitrile
CID 101289908

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazolidine-4-carbonitrile?
The IUPAC name of 1-methylimidazolidine-4-carbonitrile (CID 67242160) is 1-methylimidazolidine-4-carbonitrile.
What is the SMILES notation for 1-methylimidazolidine-4-carbonitrile?
The canonical SMILES for 1-methylimidazolidine-4-carbonitrile is CN1CNC(C#N)C1.
What is the InChIKey of 1-methylimidazolidine-4-carbonitrile?
The InChIKey is GRNTWDSYZZCAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h5,7H,3-4H2,1H3.
What are the key properties of 1-methylimidazolidine-4-carbonitrile?
1-methylimidazolidine-4-carbonitrile has a molecular weight of 111.15 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazolidine-4-carbonitrile is sourced from PubChem (CID 67242160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).