3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile

C9H15N — CID 162377689

IUPAC3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)C1(C)CC(C#N)C1
InChIInChI=1S/C9H15N/c1-7(2)9(3)4-8(5-9)6-10/h7-8H,4-5H2,1-3H3
InChIKeyQOWYQGZOCPEVGX-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds1

About 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile

3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile (PubChem CID 162377689) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile
PubChem CID162377689
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)C1(C)CC(C#N)C1
InChIInChI=1S/C9H15N/c1-7(2)9(3)4-8(5-9)6-10/h7-8H,4-5H2,1-3H3
InChIKeyQOWYQGZOCPEVGX-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-propan-2-ylcyclobutane-1-carbonitrile
CID 176651005
3-hydroxy-3-(3-methylbut-1-ynyl)cyclobutane-1-carbonitrile
CID 118967277
3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
CID 171511357
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
methyl 3-cyano-1-methylcyclobutane-1-carboxylate
CID 173252740
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
CID 177439553
3-chloro-3-methyl-2-oxospiro[3.3]heptane-6-carbonitrile
CID 155478815
1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
CID 87529611
cyclohexanecarbonitrile;2-methylpropanenitrile
CID 118270870
3-methyl-3-propan-2-yloxirane-2-carbonitrile
CID 45120377
S-[(3-cyano-1-methylcyclobutyl)methyl] ethanethioate
CID 125471076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile (CID 162377689) is 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile is CC(C)C1(C)CC(C#N)C1.
What is the InChIKey of 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile?
The InChIKey is QOWYQGZOCPEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9(3)4-8(5-9)6-10/h7-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile?
3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile has a molecular weight of 137.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 162377689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).