6-hydroxycyclohexa-1,5-diene-1-carbonitrile

C7H7NO — CID 142981296

IUPAC6-hydroxycyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=CCCC=C1O
InChIInChI=1S/C7H7NO/c8-5-6-3-1-2-4-7(6)9/h3-4,9H,1-2H2
InChIKeyXAUPYCKBTFBHDB-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.67
Rot. Bonds

About 6-hydroxycyclohexa-1,5-diene-1-carbonitrile

6-hydroxycyclohexa-1,5-diene-1-carbonitrile (PubChem CID 142981296) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 6-hydroxycyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name6-hydroxycyclohexa-1,5-diene-1-carbonitrile
PubChem CID142981296
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name6-hydroxycyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=CCCC=C1O
InChIInChI=1S/C7H7NO/c8-5-6-3-1-2-4-7(6)9/h3-4,9H,1-2H2
InChIKeyXAUPYCKBTFBHDB-UHFFFAOYSA-N
XLogP1.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-6-hydroxy-4-methylidenecyclohexa-1,5-diene-1-carbonitrile
CID 163467942
4-Hydroxy-2-methylbenzene-6-ide-1-carbonitrile;yttrium
CID 60068937
1,3-Dihydroxy-4-cyanophenol
CID 66836221
2,3-Dihydroxycyclohexa-1,3-diene-1-carbonitrile
CID 68328904
(3Z,5Z)-5-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
CID 88580927
2-(4-Hydroxy-3,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)propanedinitrile
CID 91343811
(3Z)-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 126723082
2-Hydroxybuta-1,3-diene-1,1,3-tricarbonitrile
CID 126729393
(3E)-4-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 129143970
6-Hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile
CID 135215340
2-Hydroxycyclohexa-1,3-diene-1-carbonitrile
CID 144789069
(3E)-3-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 145674783

Frequently Asked Questions

What is the IUPAC name of 6-hydroxycyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 6-hydroxycyclohexa-1,5-diene-1-carbonitrile (CID 142981296) is 6-hydroxycyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 6-hydroxycyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 6-hydroxycyclohexa-1,5-diene-1-carbonitrile is N#CC1=CCCC=C1O.
What is the InChIKey of 6-hydroxycyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is XAUPYCKBTFBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c8-5-6-3-1-2-4-7(6)9/h3-4,9H,1-2H2.
What are the key properties of 6-hydroxycyclohexa-1,5-diene-1-carbonitrile?
6-hydroxycyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxycyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 142981296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).