(E)-5-ethenyl-2-methylhept-5-enenitrile

C10H15N — CID 154975720

IUPAC(E)-5-ethenyl-2-methylhept-5-enenitrile
SMILESC=C/C(=C/C)CCC(C)C#N
InChIInChI=1S/C10H15N/c1-4-10(5-2)7-6-9(3)8-11/h4-5,9H,1,6-7H2,2-3H3/b10-5-
InChIKeyBBPHWINSUWIQDA-YHYXMXQVSA-N
MW149.24 g/mol
LogP3.06
Rot. Bonds4

About (E)-5-ethenyl-2-methylhept-5-enenitrile

(E)-5-ethenyl-2-methylhept-5-enenitrile (PubChem CID 154975720) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (E)-5-ethenyl-2-methylhept-5-enenitrile.

Molecular Properties

Compound Name(E)-5-ethenyl-2-methylhept-5-enenitrile
PubChem CID154975720
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(E)-5-ethenyl-2-methylhept-5-enenitrile
SMILESC=C/C(=C/C)CCC(C)C#N
InChIInChI=1S/C10H15N/c1-4-10(5-2)7-6-9(3)8-11/h4-5,9H,1,6-7H2,2-3H3/b10-5-
InChIKeyBBPHWINSUWIQDA-YHYXMXQVSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyanopentanethioic S-acid
CID 118621202
2,6-dimethylheptanedinitrile
CID 15584321
2-methylhexadec-15-enenitrile
CID 54387096
4-cyanopentanoic acid;2-methylpropan-2-ol
CID 161310964
3-ethylideneoct-1-ene
CID 91511297
2-methylbutanenitrile;prop-2-enenitrile
CID 161462983
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524
2-methyl-5-sulfanylhexanenitrile
CID 123379431
2-(hydroxymethyl)-2,5-dimethylhexanedinitrile
CID 102412006
2-methyl-6-oxooctanenitrile
CID 162414520

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethenyl-2-methylhept-5-enenitrile?
The IUPAC name of (E)-5-ethenyl-2-methylhept-5-enenitrile (CID 154975720) is (E)-5-ethenyl-2-methylhept-5-enenitrile.
What is the SMILES notation for (E)-5-ethenyl-2-methylhept-5-enenitrile?
The canonical SMILES for (E)-5-ethenyl-2-methylhept-5-enenitrile is C=C/C(=C/C)CCC(C)C#N.
What is the InChIKey of (E)-5-ethenyl-2-methylhept-5-enenitrile?
The InChIKey is BBPHWINSUWIQDA-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H15N/c1-4-10(5-2)7-6-9(3)8-11/h4-5,9H,1,6-7H2,2-3H3/b10-5-.
What are the key properties of (E)-5-ethenyl-2-methylhept-5-enenitrile?
(E)-5-ethenyl-2-methylhept-5-enenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethenyl-2-methylhept-5-enenitrile is sourced from PubChem (CID 154975720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).