(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine

C9H10N2 — CID 145330530

IUPAC(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\N=C\C
InChIInChI=1S/C9H10N2/c1-2-11-7-8-5-3-4-6-9(8)10/h2-7,10H,1H3/b8-7-,10-9+,11-2+
InChIKeyXDJQPERVNGABPN-XBGJDHAPSA-N
MW146.19 g/mol
LogP2.11
Rot. Bonds1

About (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine

(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine (PubChem CID 145330530) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
PubChem CID145330530
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\N=C\C
InChIInChI=1S/C9H10N2/c1-2-11-7-8-5-3-4-6-9(8)10/h2-7,10H,1H3/b8-7-,10-9+,11-2+
InChIKeyXDJQPERVNGABPN-XBGJDHAPSA-N
XLogP2.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine (CID 145330530) is (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C\N=C\C.
What is the InChIKey of (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine?
The InChIKey is XDJQPERVNGABPN-XBGJDHAPSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-11-7-8-5-3-4-6-9(8)10/h2-7,10H,1H3/b8-7-,10-9+,11-2+.
What are the key properties of (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine?
(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine has a molecular weight of 146.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 145330530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).