2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile

C11H16N2 — CID 92524210

IUPAC2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile
SMILESC/C=C(/CC)C(C#N)(C#N)CCC
InChIInChI=1S/C11H16N2/c1-4-7-11(8-12,9-13)10(5-2)6-3/h5H,4,6-7H2,1-3H3/b10-5-
InChIKeyHJAPZIWDSPJCCM-YHYXMXQVSA-N
MW176.26 g/mol
LogP3.18
Rot. Bonds4

About 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile

2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile (PubChem CID 92524210) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile.

Molecular Properties

Compound Name2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile
PubChem CID92524210
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile
SMILESC/C=C(/CC)C(C#N)(C#N)CCC
InChIInChI=1S/C11H16N2/c1-4-7-11(8-12,9-13)10(5-2)6-3/h5H,4,6-7H2,1-3H3/b10-5-
InChIKeyHJAPZIWDSPJCCM-YHYXMXQVSA-N
XLogP3.18
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile?
The IUPAC name of 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile (CID 92524210) is 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile.
What is the SMILES notation for 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile?
The canonical SMILES for 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile is C/C=C(/CC)C(C#N)(C#N)CCC.
What is the InChIKey of 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile?
The InChIKey is HJAPZIWDSPJCCM-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-7-11(8-12,9-13)10(5-2)6-3/h5H,4,6-7H2,1-3H3/b10-5-.
What are the key properties of 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile?
2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile has a molecular weight of 176.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pent-2-en-3-yl]-2-propylpropanedinitrile is sourced from PubChem (CID 92524210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).