(3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine

C7H8N2 — CID 91289315

IUPAC(3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CCC(/C=N/[H])=C1
InChIInChI=1S/C7H8N2/c8-4-6-1-2-7(3-6)5-9/h1,3-5,8-9H,2H2/b8-4+,9-5+
InChIKeyIMUHPNKCDMLILG-KBXRYBNXSA-N
MW120.15 g/mol
LogP1.54
Rot. Bonds2

About (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine

(3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine (PubChem CID 91289315) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine.

Molecular Properties

Compound Name(3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
PubChem CID91289315
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CCC(/C=N/[H])=C1
InChIInChI=1S/C7H8N2/c8-4-6-1-2-7(3-6)5-9/h1,3-5,8-9H,2H2/b8-4+,9-5+
InChIKeyIMUHPNKCDMLILG-KBXRYBNXSA-N
XLogP1.54
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.54
H-Bond Donors ≤ 52
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 (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine?
The IUPAC name of (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine (CID 91289315) is (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine.
What is the SMILES notation for (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine?
The canonical SMILES for (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine is [H]/N=C/C1=CCC(/C=N/[H])=C1.
What is the InChIKey of (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine?
The InChIKey is IMUHPNKCDMLILG-KBXRYBNXSA-N. The full InChI is InChI=1S/C7H8N2/c8-4-6-1-2-7(3-6)5-9/h1,3-5,8-9H,2H2/b8-4+,9-5+.
What are the key properties of (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine?
(3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine has a molecular weight of 120.15 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methanimidoylcyclopenta-1,3-dien-1-yl)methanimine is sourced from PubChem (CID 91289315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).