2-phenyl-2-prop-2-enylpent-4-enenitrile

C14H15N — CID 10442696

IUPAC2-phenyl-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)c1ccccc1
InChIInChI=1S/C14H15N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h3-9H,1-2,10-11H2
InChIKeyNFSATFFLDCRRQN-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.60
Rot. Bonds5

About 2-phenyl-2-prop-2-enylpent-4-enenitrile

2-phenyl-2-prop-2-enylpent-4-enenitrile (PubChem CID 10442696) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-phenyl-2-prop-2-enylpent-4-enenitrile.

Molecular Properties

Compound Name2-phenyl-2-prop-2-enylpent-4-enenitrile
PubChem CID10442696
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-phenyl-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)c1ccccc1
InChIInChI=1S/C14H15N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h3-9H,1-2,10-11H2
InChIKeyNFSATFFLDCRRQN-UHFFFAOYSA-N
XLogP3.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenylpent-4-enenitrile
CID 10681154
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
2-phenyl-2-propylpentanenitrile
CID 12754193
1-phenylbut-3-ene-1,1-diol
CID 134892936
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
4-propylhept-1-en-4-ylbenzene
CID 123221616
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
CID 176894783
(1-amino-2-cyano-1-phenylethyl) prop-2-enoate
CID 166665054
2-(diethoxymethyl)-2-phenylpent-4-enenitrile
CID 70433023
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-prop-2-enylpent-4-enenitrile?
The IUPAC name of 2-phenyl-2-prop-2-enylpent-4-enenitrile (CID 10442696) is 2-phenyl-2-prop-2-enylpent-4-enenitrile.
What is the SMILES notation for 2-phenyl-2-prop-2-enylpent-4-enenitrile?
The canonical SMILES for 2-phenyl-2-prop-2-enylpent-4-enenitrile is C=CCC(C#N)(CC=C)c1ccccc1.
What is the InChIKey of 2-phenyl-2-prop-2-enylpent-4-enenitrile?
The InChIKey is NFSATFFLDCRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h3-9H,1-2,10-11H2.
What are the key properties of 2-phenyl-2-prop-2-enylpent-4-enenitrile?
2-phenyl-2-prop-2-enylpent-4-enenitrile has a molecular weight of 197.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-prop-2-enylpent-4-enenitrile is sourced from PubChem (CID 10442696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).