(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile

C7H8N2 — CID 130320490

IUPAC(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile
SMILESC=N/C=C(C#N)\C=C/C
InChIInChI=1S/C7H8N2/c1-3-4-7(5-8)6-9-2/h3-4,6H,2H2,1H3/b4-3-,7-6+
InChIKeySSZPXNAOWKWWEG-WWVFNRLHSA-N
MW120.15 g/mol
LogP1.67
Rot. Bonds2

About (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile

(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile (PubChem CID 130320490) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile.

Molecular Properties

Compound Name(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile
PubChem CID130320490
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile
SMILESC=N/C=C(C#N)\C=C/C
InChIInChI=1S/C7H8N2/c1-3-4-7(5-8)6-9-2/h3-4,6H,2H2,1H3/b4-3-,7-6+
InChIKeySSZPXNAOWKWWEG-WWVFNRLHSA-N
XLogP1.67
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.67
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile?
The IUPAC name of (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile (CID 130320490) is (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile.
What is the SMILES notation for (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile?
The canonical SMILES for (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile is C=N/C=C(C#N)\C=C/C.
What is the InChIKey of (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile?
The InChIKey is SSZPXNAOWKWWEG-WWVFNRLHSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-4-7(5-8)6-9-2/h3-4,6H,2H2,1H3/b4-3-,7-6+.
What are the key properties of (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile?
(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile has a molecular weight of 120.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enenitrile is sourced from PubChem (CID 130320490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).