(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile

C14H18N2 — CID 101355868

IUPAC(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile
SMILESCCC/C(C#N)=C(\CCC)c1ccncc1
InChIInChI=1S/C14H18N2/c1-3-5-13(11-15)14(6-4-2)12-7-9-16-10-8-12/h7-10H,3-6H2,1-2H3/b14-13-
InChIKeyPOQBTXMJPWYMOJ-YPKPFQOOSA-N
MW214.31 g/mol
LogP3.96
Rot. Bonds5

About (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile

(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile (PubChem CID 101355868) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile
PubChem CID101355868
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile
SMILESCCC/C(C#N)=C(\CCC)c1ccncc1
InChIInChI=1S/C14H18N2/c1-3-5-13(11-15)14(6-4-2)12-7-9-16-10-8-12/h7-10H,3-6H2,1-2H3/b14-13-
InChIKeyPOQBTXMJPWYMOJ-YPKPFQOOSA-N
XLogP3.96
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-propyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hex-2-enenitrile
CID 11348356
(Z)-2-butyl-3-phenylhept-2-enenitrile
CID 164676180
1-pyridin-4-ylbutan-1-imine
CID 59020939
pentan-2-one;pyridine-4-carboxylic acid
CID 174864210
N-(1-pyridin-4-ylbutylidene)nitrous amide
CID 173372674
butane;1-pyridin-4-ylethanone
CID 174655632
2-(pyridine-4-carbonyl)butanenitrile
CID 43670500
(2Z)-2-[chloro-(3-chloro-4-fluorophenyl)methylidene]pentanenitrile
CID 82879775
N-methoxypyridine-4-carboximidoyl cyanide
CID 54520311
2-(1-phenylpentylidene)propanedinitrile
CID 3597720
N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009
1-pyridin-4-ylhexadecan-1-one
CID 102412701

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile?
The IUPAC name of (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile (CID 101355868) is (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile.
What is the SMILES notation for (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile?
The canonical SMILES for (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile is CCC/C(C#N)=C(\CCC)c1ccncc1.
What is the InChIKey of (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile?
The InChIKey is POQBTXMJPWYMOJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-5-13(11-15)14(6-4-2)12-7-9-16-10-8-12/h7-10H,3-6H2,1-2H3/b14-13-.
What are the key properties of (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile?
(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile has a molecular weight of 214.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile is sourced from PubChem (CID 101355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).