(E)-5-cyclopropylpent-2-enenitrile

C8H11N — CID 131244540

IUPAC(E)-5-cyclopropylpent-2-enenitrile
SMILESN#C/C=C/CCC1CC1
InChIInChI=1S/C8H11N/c9-7-3-1-2-4-8-5-6-8/h1,3,8H,2,4-6H2/b3-1+
InChIKeyOXCGDDWXCODUNZ-HNQUOIGGSA-N
MW121.18 g/mol
LogP2.26
Rot. Bonds3

About (E)-5-cyclopropylpent-2-enenitrile

(E)-5-cyclopropylpent-2-enenitrile (PubChem CID 131244540) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (E)-5-cyclopropylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-5-cyclopropylpent-2-enenitrile
PubChem CID131244540
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(E)-5-cyclopropylpent-2-enenitrile
SMILESN#C/C=C/CCC1CC1
InChIInChI=1S/C8H11N/c9-7-3-1-2-4-8-5-6-8/h1,3,8H,2,4-6H2/b3-1+
InChIKeyOXCGDDWXCODUNZ-HNQUOIGGSA-N
XLogP2.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[4-(4-ethylcyclohexyl)cyclohexyl]pent-2-enenitrile
CID 19612791
5-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]pent-2-enenitrile
CID 54469260
(E)-5-[4-[1-(4-heptylcyclohexyl)ethenyl]cyclohexyl]pent-2-enenitrile
CID 19613657
4-[4-[4-(4-cyanobut-3-enyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54106459
(4-ethylcyclohexyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate
CID 18394200
(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
CID 19613878
(2E,4E)-7-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613532
(E)-5-[4-[4-[4-(4-butylphenyl)butyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
CID 19612690
(2E,4E)-7-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613180
(E)-5-[4-[(4-propylphenyl)methoxy]cyclohexyl]pent-2-enenitrile
CID 19613905
5-[4-(4-heptylphenyl)cyclohexyl]pent-2-enenitrile
CID 54439791
(E)-5-[4-[(4-butylphenyl)methoxy]cyclohexyl]pent-2-enenitrile
CID 19612894

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclopropylpent-2-enenitrile?
The IUPAC name of (E)-5-cyclopropylpent-2-enenitrile (CID 131244540) is (E)-5-cyclopropylpent-2-enenitrile.
What is the SMILES notation for (E)-5-cyclopropylpent-2-enenitrile?
The canonical SMILES for (E)-5-cyclopropylpent-2-enenitrile is N#C/C=C/CCC1CC1.
What is the InChIKey of (E)-5-cyclopropylpent-2-enenitrile?
The InChIKey is OXCGDDWXCODUNZ-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H11N/c9-7-3-1-2-4-8-5-6-8/h1,3,8H,2,4-6H2/b3-1+.
What are the key properties of (E)-5-cyclopropylpent-2-enenitrile?
(E)-5-cyclopropylpent-2-enenitrile has a molecular weight of 121.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclopropylpent-2-enenitrile is sourced from PubChem (CID 131244540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).