(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile

C15H19N — CID 144776711

IUPAC(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile
SMILESCC/C(=C/C#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N/c1-5-12(10-11-16)13-6-8-14(9-7-13)15(2,3)4/h6-10H,5H2,1-4H3/b12-10-
InChIKeyDKJNSMNHKFYAET-BENRWUELSA-N
MW213.32 g/mol
LogP4.30
Rot. Bonds2

About (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile

(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile (PubChem CID 144776711) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile
PubChem CID144776711
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile
SMILESCC/C(=C/C#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N/c1-5-12(10-11-16)13-6-8-14(9-7-13)15(2,3)4/h6-10H,5H2,1-4H3/b12-10-
InChIKeyDKJNSMNHKFYAET-BENRWUELSA-N
XLogP4.30
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
3-amino-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enenitrile
CID 67179938
3-(furan-2-yl)pent-2-enenitrile
CID 71383305
CID 175176965
CID 175176965
(Z)-2-(4-tert-butylphenyl)-4-methylpent-2-enenitrile
CID 82081213
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
(E)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enenitrile
CID 163353821
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
2-(4-tert-butylphenyl)-2-methylbutanenitrile
CID 117047788
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile?
The IUPAC name of (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile (CID 144776711) is (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile?
The canonical SMILES for (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile is CC/C(=C/C#N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile?
The InChIKey is DKJNSMNHKFYAET-BENRWUELSA-N. The full InChI is InChI=1S/C15H19N/c1-5-12(10-11-16)13-6-8-14(9-7-13)15(2,3)4/h6-10H,5H2,1-4H3/b12-10-.
What are the key properties of (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile?
(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile has a molecular weight of 213.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-tert-butylphenyl)pent-2-enenitrile is sourced from PubChem (CID 144776711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).