7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine

C9H10N2 — CID 68540132

IUPAC7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine
SMILESC=C1Cc2c(N)ccc(N)c21
InChIInChI=1S/C9H10N2/c1-5-4-6-7(10)2-3-8(11)9(5)6/h2-3H,1,4,10-11H2
InChIKeyJVESKMJTTVZPCS-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.42
Rot. Bonds

About 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine

7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine (PubChem CID 68540132) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine
PubChem CID68540132
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine
SMILESC=C1Cc2c(N)ccc(N)c21
InChIInChI=1S/C9H10N2/c1-5-4-6-7(10)2-3-8(11)9(5)6/h2-3H,1,4,10-11H2
InChIKeyJVESKMJTTVZPCS-UHFFFAOYSA-N
XLogP1.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine?
The IUPAC name of 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine (CID 68540132) is 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine?
The canonical SMILES for 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine is C=C1Cc2c(N)ccc(N)c21.
What is the InChIKey of 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine?
The InChIKey is JVESKMJTTVZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-5-4-6-7(10)2-3-8(11)9(5)6/h2-3H,1,4,10-11H2.
What are the key properties of 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine?
7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine has a molecular weight of 146.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenebicyclo[4.2.0]octa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 68540132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).