bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine

C7H10N2 — CID 19431173

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;methanediamine
SMILESNCN.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH6N2/c1-2-6-4-3-5(1)6;2-1-3/h1-4H;1-3H2
InChIKeyUFWMOXFRTIWOKU-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.53
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine

bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine (PubChem CID 19431173) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;methanediamine
PubChem CID19431173
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;methanediamine
SMILESNCN.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH6N2/c1-2-6-4-3-5(1)6;2-1-3/h1-4H;1-3H2
InChIKeyUFWMOXFRTIWOKU-UHFFFAOYSA-N
XLogP0.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174785014
Bicyclo[2.2.0]hexa-1,3,5-triene;hydrazine
CID 18425002
bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine
CID 18785460
Bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine
CID 21198808
CID 21611839
CID 21611839
Bicyclo[2.2.0]hexa-1,3,5-triene;ethene
CID 21852571
Bicyclo[2.2.0]hexa-1,3,5-triene;1,1-dimethylhydrazine
CID 21997681
Bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine
CID 22256298
Azane;bicyclo[2.2.0]hexa-1,3,5-triene
CID 22311448
Bicyclo[2.2.0]hexa-1,3,5-triene;methane
CID 23513401
Azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane
CID 66667339
Bicyclo[2.2.0]hexa-1,3,5-triene;urea
CID 67569025

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine (CID 19431173) is bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine is NCN.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine?
The InChIKey is UFWMOXFRTIWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH6N2/c1-2-6-4-3-5(1)6;2-1-3/h1-4H;1-3H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine?
bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine has a molecular weight of 122.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;methanediamine is sourced from PubChem (CID 19431173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).