1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile

C9H13NO — CID 130513311

IUPAC1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
SMILESCC1CC(O)(C2(C#N)CC2)C1
InChIInChI=1S/C9H13NO/c1-7-4-9(11,5-7)8(6-10)2-3-8/h7,11H,2-5H2,1H3
InChIKeyFKLNMBYQRUKICV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.45
Rot. Bonds1

About 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile

1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile (PubChem CID 130513311) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
PubChem CID130513311
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
SMILESCC1CC(O)(C2(C#N)CC2)C1
InChIInChI=1S/C9H13NO/c1-7-4-9(11,5-7)8(6-10)2-3-8/h7,11H,2-5H2,1H3
InChIKeyFKLNMBYQRUKICV-UHFFFAOYSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
CID 79131268
1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
CID 103565491
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carbonitrile
CID 79131398
1-(4-hydroxyoxan-4-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79129941
1-(1-hydroxy-3,3-dimethylcyclopentyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 80699734
1-(3-hydroxy-1-methylpyrrolidin-3-yl)-4-methylcyclohexane-1-carbonitrile
CID 79131258
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carbonitrile
CID 79128740
(3R,5S,9R,11S)-7-hydroxy-4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane-1-carbonitrile
CID 11287230
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
1-(1-hydroxy-2,4,4-trimethylcyclopentyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 106664431
1-(1-hydroxy-2,5-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79131972
1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 81468362

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile (CID 130513311) is 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile is CC1CC(O)(C2(C#N)CC2)C1.
What is the InChIKey of 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile?
The InChIKey is FKLNMBYQRUKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-9(11,5-7)8(6-10)2-3-8/h7,11H,2-5H2,1H3.
What are the key properties of 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile?
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 130513311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).