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

C9H15N — CID 66667339

IUPACazane;bicyclo[2.2.0]hexa-1,3,5-triene;propane
SMILESCCC.N.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H8.H3N/c1-2-6-4-3-5(1)6;1-3-2;/h1-4H;3H2,1-2H3;1H3
InChIKeyJBNQDRFHTWVMLQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP3.25
Rot. Bonds

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

azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane (PubChem CID 66667339) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane.

Molecular Properties

Compound Nameazane;bicyclo[2.2.0]hexa-1,3,5-triene;propane
PubChem CID66667339
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Nameazane;bicyclo[2.2.0]hexa-1,3,5-triene;propane
SMILESCCC.N.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H8.H3N/c1-2-6-4-3-5(1)6;1-3-2;/h1-4H;3H2,1-2H3;1H3
InChIKeyJBNQDRFHTWVMLQ-UHFFFAOYSA-N
XLogP3.25
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10975609
(1-Cyclobutylideneethyl)benzene
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Amine-styrene
CID 21938855
Bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene
CID 173377103
Bicyclo[2.2.0]hexa-1,3,5-triene;1,1-difluoroethanamine
CID 174442410
Methanamine;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174785014
1-Methyl-3-phenylbicyclo[1.1.1]pentane
CID 85786375
Bicyclo[2.2.0]hexa-1,3,5-triene;1,1-dimethoxyhydrazine
CID 17810950
CID 18407184
CID 18407184
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

Frequently Asked Questions

What is the IUPAC name of azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane?
The IUPAC name of azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane (CID 66667339) is azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane.
What is the SMILES notation for azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane?
The canonical SMILES for azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane is CCC.N.c1cc2ccc1-2.
What is the InChIKey of azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane?
The InChIKey is JBNQDRFHTWVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H8.H3N/c1-2-6-4-3-5(1)6;1-3-2;/h1-4H;3H2,1-2H3;1H3.
What are the key properties of azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane?
azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane has a molecular weight of 137.23 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bicyclo[2.2.0]hexa-1,3,5-triene;propane is sourced from PubChem (CID 66667339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).