(2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile

C13H21N — CID 102401969

IUPAC(2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile
SMILESCC/C=C\C(CCC)=C(/C#N)CCC
InChIInChI=1S/C13H21N/c1-4-7-10-12(8-5-2)13(11-14)9-6-3/h7,10H,4-6,8-9H2,1-3H3/b10-7-,13-12-
InChIKeyBCCJXXTWYVPJJC-IUDDKACKSA-N
MW191.32 g/mol
LogP4.37
Rot. Bonds6

About (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile

(2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile (PubChem CID 102401969) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile
PubChem CID102401969
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile
SMILESCC/C=C\C(CCC)=C(/C#N)CCC
InChIInChI=1S/C13H21N/c1-4-7-10-12(8-5-2)13(11-14)9-6-3/h7,10H,4-6,8-9H2,1-3H3/b10-7-,13-12-
InChIKeyBCCJXXTWYVPJJC-IUDDKACKSA-N
XLogP4.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-5-methyl-2,3-dipropylocta-2,4-dienenitrile
CID 137434733
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
5-pentan-2-ylidenedodeca-3,7-diene
CID 123891140
(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
CID 101430362
ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile
CID 144712712
[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene
CID 11029415
(Z)-3-phenyl-2-propylhex-2-enenitrile
CID 101359460
(2E)-2-(aminomethylidene)pentanenitrile
CID 12751988
2-(1-hydroxybutylidene)propanedinitrile
CID 21426774
(Z)-2-methylpent-2-enenitrile
CID 5352199
(E)-N-(cyanomethyl)pent-2-enamide
CID 131236211
(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile
CID 102044175

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile?
The IUPAC name of (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile (CID 102401969) is (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile?
The canonical SMILES for (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile is CC/C=C\C(CCC)=C(/C#N)CCC.
What is the InChIKey of (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile?
The InChIKey is BCCJXXTWYVPJJC-IUDDKACKSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-10-12(8-5-2)13(11-14)9-6-3/h7,10H,4-6,8-9H2,1-3H3/b10-7-,13-12-.
What are the key properties of (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile?
(2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile has a molecular weight of 191.32 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2,3-dipropylhepta-2,4-dienenitrile is sourced from PubChem (CID 102401969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).