3-(1-methylcyclobutyl)propanenitrile

C8H13N — CID 59843558

IUPAC3-(1-methylcyclobutyl)propanenitrile
SMILESCC1(CCC#N)CCC1
InChIInChI=1S/C8H13N/c1-8(4-2-5-8)6-3-7-9/h2-6H2,1H3
InChIKeyFMRZVGRKAOCBBV-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.48
Rot. Bonds2

About 3-(1-methylcyclobutyl)propanenitrile

3-(1-methylcyclobutyl)propanenitrile (PubChem CID 59843558) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-(1-methylcyclobutyl)propanenitrile.

Molecular Properties

Compound Name3-(1-methylcyclobutyl)propanenitrile
PubChem CID59843558
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-(1-methylcyclobutyl)propanenitrile
SMILESCC1(CCC#N)CCC1
InChIInChI=1S/C8H13N/c1-8(4-2-5-8)6-3-7-9/h2-6H2,1H3
InChIKeyFMRZVGRKAOCBBV-UHFFFAOYSA-N
XLogP2.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile
CID 166168925
3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
CID 124706696
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
3-(1-fluorocyclohexyl)propanenitrile
CID 84763610
2-(1-methylcyclobutyl)ethanamine;hydrochloride
CID 55284653
3-[2-(2-cyanoethyl)-2-ethyl-1-methylcyclobutyl]propanenitrile
CID 70894274
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
CID 13214164
N,N-dimethyl-2-(1-methylcyclobutyl)ethanamine;ethane
CID 144987666
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
CID 126983354
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
CID 175981962
methanamine;1-methyl-1-propylcyclohexane
CID 143166123

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclobutyl)propanenitrile?
The IUPAC name of 3-(1-methylcyclobutyl)propanenitrile (CID 59843558) is 3-(1-methylcyclobutyl)propanenitrile.
What is the SMILES notation for 3-(1-methylcyclobutyl)propanenitrile?
The canonical SMILES for 3-(1-methylcyclobutyl)propanenitrile is CC1(CCC#N)CCC1.
What is the InChIKey of 3-(1-methylcyclobutyl)propanenitrile?
The InChIKey is FMRZVGRKAOCBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(4-2-5-8)6-3-7-9/h2-6H2,1H3.
What are the key properties of 3-(1-methylcyclobutyl)propanenitrile?
3-(1-methylcyclobutyl)propanenitrile has a molecular weight of 123.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclobutyl)propanenitrile is sourced from PubChem (CID 59843558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).