(2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile

C11H14N2O — CID 11789994

IUPAC(2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCC/C1=C/CCCO
InChIInChI=1S/C11H14N2O/c12-8-11(9-13)6-3-5-10(11)4-1-2-7-14/h4,14H,1-3,5-7H2/b10-4-
InChIKeyYHDQXHODAPVFGI-WMZJFQQLSA-N
MW190.25 g/mol
LogP1.90
Rot. Bonds3

About (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile

(2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile (PubChem CID 11789994) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile.

Molecular Properties

Compound Name(2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile
PubChem CID11789994
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCC/C1=C/CCCO
InChIInChI=1S/C11H14N2O/c12-8-11(9-13)6-3-5-10(11)4-1-2-7-14/h4,14H,1-3,5-7H2/b10-4-
InChIKeyYHDQXHODAPVFGI-WMZJFQQLSA-N
XLogP1.90
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Hydroxymethyl)-5-methyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
CID 138976330
2-[5-(2-Hydroxyethyl)-1,2-dimethylcyclopent-2-en-1-yl]acetonitrile
CID 133682720
1-(Hydroxymethyl)cyclopent-3-ene-1-carbonitrile
CID 168436863

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile?
The IUPAC name of (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile (CID 11789994) is (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile.
What is the SMILES notation for (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile?
The canonical SMILES for (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile is N#CC1(C#N)CCC/C1=C/CCCO.
What is the InChIKey of (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile?
The InChIKey is YHDQXHODAPVFGI-WMZJFQQLSA-N. The full InChI is InChI=1S/C11H14N2O/c12-8-11(9-13)6-3-5-10(11)4-1-2-7-14/h4,14H,1-3,5-7H2/b10-4-.
What are the key properties of (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile?
(2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-hydroxybutylidene)cyclopentane-1,1-dicarbonitrile is sourced from PubChem (CID 11789994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).