N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide

C10H14N2 — CID 170141959

IUPACN-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/C(=C\C)C(C)C
InChIInChI=1S/C10H14N2/c1-5-9(7-11)12-10(6-2)8(3)4/h5-6,8H,1H2,2-4H3/b10-6-,12-9-
InChIKeyAZYJKDNDBQXFLR-LQBUGXQISA-N
MW162.24 g/mol
LogP2.70
Rot. Bonds3

About N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide

N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide (PubChem CID 170141959) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide
PubChem CID170141959
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/C(=C\C)C(C)C
InChIInChI=1S/C10H14N2/c1-5-9(7-11)12-10(6-2)8(3)4/h5-6,8H,1H2,2-4H3/b10-6-,12-9-
InChIKeyAZYJKDNDBQXFLR-LQBUGXQISA-N
XLogP2.70
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide?
The IUPAC name of N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide (CID 170141959) is N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide.
What is the SMILES notation for N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide?
The canonical SMILES for N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide is C=C/C(C#N)=N/C(=C\C)C(C)C.
What is the InChIKey of N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide?
The InChIKey is AZYJKDNDBQXFLR-LQBUGXQISA-N. The full InChI is InChI=1S/C10H14N2/c1-5-9(7-11)12-10(6-2)8(3)4/h5-6,8H,1H2,2-4H3/b10-6-,12-9-.
What are the key properties of N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide?
N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide has a molecular weight of 162.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide is sourced from PubChem (CID 170141959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).