(Z)-3-cycloheptylprop-2-enenitrile

C10H15N — CID 11636824

IUPAC(Z)-3-cycloheptylprop-2-enenitrile
SMILESN#C/C=C\C1CCCCCC1
InChIInChI=1S/C10H15N/c11-9-5-8-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7H2/b8-5-
InChIKeyRGHXUBBJZRZCJU-YVMONPNESA-N
MW149.24 g/mol
LogP3.04
Rot. Bonds1

About (Z)-3-cycloheptylprop-2-enenitrile

(Z)-3-cycloheptylprop-2-enenitrile (PubChem CID 11636824) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (Z)-3-cycloheptylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-cycloheptylprop-2-enenitrile
PubChem CID11636824
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(Z)-3-cycloheptylprop-2-enenitrile
SMILESN#C/C=C\C1CCCCCC1
InChIInChI=1S/C10H15N/c11-9-5-8-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7H2/b8-5-
InChIKeyRGHXUBBJZRZCJU-YVMONPNESA-N
XLogP3.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.04
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

3-cyclobutylprop-2-enenitrile
CID 67335602
2-cyclohexylethenylcyclohexane
CID 4124459
[(E)-but-1-en-3-ynyl]cyclohexane
CID 14529129
(E)-3-[(3R)-oxan-3-yl]prop-2-enenitrile
CID 124508735
3-(3-aminocyclohexyl)prop-2-enenitrile;hydrochloride
CID 86717492
3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589827
3-(4-propylcyclohexyl)prop-2-enenitrile
CID 54536266
(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
CID 130129151
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
CID 126844557
(E)-2-cyclohexylethenethiol
CID 142947684
prop-1-enylcyclododecane
CID 139760926
2-iodoethenylcyclohexane
CID 71361827

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cycloheptylprop-2-enenitrile?
The IUPAC name of (Z)-3-cycloheptylprop-2-enenitrile (CID 11636824) is (Z)-3-cycloheptylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-cycloheptylprop-2-enenitrile?
The canonical SMILES for (Z)-3-cycloheptylprop-2-enenitrile is N#C/C=C\C1CCCCCC1.
What is the InChIKey of (Z)-3-cycloheptylprop-2-enenitrile?
The InChIKey is RGHXUBBJZRZCJU-YVMONPNESA-N. The full InChI is InChI=1S/C10H15N/c11-9-5-8-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7H2/b8-5-.
What are the key properties of (Z)-3-cycloheptylprop-2-enenitrile?
(Z)-3-cycloheptylprop-2-enenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cycloheptylprop-2-enenitrile is sourced from PubChem (CID 11636824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).