1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile

C12H17NO — CID 79132034

IUPAC1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(O)C2CC=CCC2)CCC1
InChIInChI=1S/C12H17NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-2,10-11,14H,3-8H2
InChIKeyJWNXPJDSDNWJOI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.40
Rot. Bonds2

About 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile

1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile (PubChem CID 79132034) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile
PubChem CID79132034
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(O)C2CC=CCC2)CCC1
InChIInChI=1S/C12H17NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-2,10-11,14H,3-8H2
InChIKeyJWNXPJDSDNWJOI-UHFFFAOYSA-N
XLogP2.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclooctane-1-carbonitrile
CID 80604101
1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
CID 79132459
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
4-[cyclohex-3-en-1-yl(hydroxy)methyl]-2,3-dihydrochromene-4-carbonitrile
CID 79132927
1-[hydroxy(oxolan-3-yl)methyl]cycloheptane-1-carbonitrile
CID 79136550
1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80603929
4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile
CID 79132653
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile
CID 103715793
2-[cyclohex-3-en-1-yl(hydroxy)methyl]butanenitrile
CID 79131694
4-tert-butyl-1-[cyclohexyl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79137065
1-[cyclohexyl(hydroxy)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 79137432

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile (CID 79132034) is 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile is N#CC1(C(O)C2CC=CCC2)CCC1.
What is the InChIKey of 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile?
The InChIKey is JWNXPJDSDNWJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-2,10-11,14H,3-8H2.
What are the key properties of 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile?
1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile has a molecular weight of 191.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 79132034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).