(Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile

C9H12N2 — CID 168934144

IUPAC(Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile
SMILESC/C=C\C=N\C(C#N)=C/CC
InChIInChI=1S/C9H12N2/c1-3-5-7-11-9(8-10)6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,9-6-,11-7+
InChIKeyJGFZMAYQORDGJY-HDMWHHSWSA-N
MW148.21 g/mol
LogP2.45
Rot. Bonds3

About (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile

(Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile (PubChem CID 168934144) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile
PubChem CID168934144
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile
SMILESC/C=C\C=N\C(C#N)=C/CC
InChIInChI=1S/C9H12N2/c1-3-5-7-11-9(8-10)6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,9-6-,11-7+
InChIKeyJGFZMAYQORDGJY-HDMWHHSWSA-N
XLogP2.45
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile?
The IUPAC name of (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile (CID 168934144) is (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile.
What is the SMILES notation for (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile?
The canonical SMILES for (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile is C/C=C\C=N\C(C#N)=C/CC.
What is the InChIKey of (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile?
The InChIKey is JGFZMAYQORDGJY-HDMWHHSWSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-7-11-9(8-10)6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,9-6-,11-7+.
What are the key properties of (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile?
(Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile has a molecular weight of 148.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(Z)-but-2-enylidene]amino]pent-2-enenitrile is sourced from PubChem (CID 168934144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).