(5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine

C7H8N2 — CID 90811439

IUPAC(5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CCC=C1/C=N/[H]
InChIInChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h2-5,8-9H,1H2/b8-4+,9-5+
InChIKeyFHHSJWBSCJCKIQ-KBXRYBNXSA-N
MW120.15 g/mol
LogP1.54
Rot. Bonds2

About (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine

(5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine (PubChem CID 90811439) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine.

Molecular Properties

Compound Name(5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
PubChem CID90811439
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CCC=C1/C=N/[H]
InChIInChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h2-5,8-9H,1H2/b8-4+,9-5+
InChIKeyFHHSJWBSCJCKIQ-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 (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine?
The IUPAC name of (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine (CID 90811439) is (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine.
What is the SMILES notation for (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine?
The canonical SMILES for (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine is [H]/N=C/C1=CCC=C1/C=N/[H].
What is the InChIKey of (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine?
The InChIKey is FHHSJWBSCJCKIQ-KBXRYBNXSA-N. The full InChI is InChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h2-5,8-9H,1H2/b8-4+,9-5+.
What are the key properties of (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine?
(5-methanimidoylcyclopenta-1,4-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 (5-methanimidoylcyclopenta-1,4-dien-1-yl)methanimine is sourced from PubChem (CID 90811439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).