6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride

C11H15ClN2O — CID 70300364

IUPAC6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride
SMILESC=CCC1CCc2occc2C(N)=N1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-2-3-8-4-5-10-9(6-7-14-10)11(12)13-8;/h2,6-8H,1,3-5H2,(H2,12,13);1H
InChIKeyVYSUJSAUMLEGKO-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.30
Rot. Bonds2

About 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride

6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride (PubChem CID 70300364) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride
PubChem CID70300364
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride
SMILESC=CCC1CCc2occc2C(N)=N1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-2-3-8-4-5-10-9(6-7-14-10)11(12)13-8;/h2,6-8H,1,3-5H2,(H2,12,13);1H
InChIKeyVYSUJSAUMLEGKO-UHFFFAOYSA-N
XLogP2.30
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride?
The IUPAC name of 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride (CID 70300364) is 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride.
What is the SMILES notation for 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride?
The canonical SMILES for 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride is C=CCC1CCc2occc2C(N)=N1.Cl.
What is the InChIKey of 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride?
The InChIKey is VYSUJSAUMLEGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-2-3-8-4-5-10-9(6-7-14-10)11(12)13-8;/h2,6-8H,1,3-5H2,(H2,12,13);1H.
What are the key properties of 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride?
6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-7,8-dihydro-6H-furo[3,2-c]azepin-4-amine;hydrochloride is sourced from PubChem (CID 70300364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).