7-methoxy-2-prop-2-enyl-3H-1-benzazepine

C14H15NO — CID 153345450

IUPAC7-methoxy-2-prop-2-enyl-3H-1-benzazepine
SMILESC=CCC1=Nc2ccc(OC)cc2C=CC1
InChIInChI=1S/C14H15NO/c1-3-5-12-7-4-6-11-10-13(16-2)8-9-14(11)15-12/h3-4,6,8-10H,1,5,7H2,2H3
InChIKeyNGNQVTWMACRRPA-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.76
Rot. Bonds3

About 7-methoxy-2-prop-2-enyl-3H-1-benzazepine

7-methoxy-2-prop-2-enyl-3H-1-benzazepine (PubChem CID 153345450) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-methoxy-2-prop-2-enyl-3H-1-benzazepine.

Molecular Properties

Compound Name7-methoxy-2-prop-2-enyl-3H-1-benzazepine
PubChem CID153345450
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name7-methoxy-2-prop-2-enyl-3H-1-benzazepine
SMILESC=CCC1=Nc2ccc(OC)cc2C=CC1
InChIInChI=1S/C14H15NO/c1-3-5-12-7-4-6-11-10-13(16-2)8-9-14(11)15-12/h3-4,6,8-10H,1,5,7H2,2H3
InChIKeyNGNQVTWMACRRPA-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-methoxy-2-prop-2-enyl-3H-1-benzazepine?
The IUPAC name of 7-methoxy-2-prop-2-enyl-3H-1-benzazepine (CID 153345450) is 7-methoxy-2-prop-2-enyl-3H-1-benzazepine.
What is the SMILES notation for 7-methoxy-2-prop-2-enyl-3H-1-benzazepine?
The canonical SMILES for 7-methoxy-2-prop-2-enyl-3H-1-benzazepine is C=CCC1=Nc2ccc(OC)cc2C=CC1.
What is the InChIKey of 7-methoxy-2-prop-2-enyl-3H-1-benzazepine?
The InChIKey is NGNQVTWMACRRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-5-12-7-4-6-11-10-13(16-2)8-9-14(11)15-12/h3-4,6,8-10H,1,5,7H2,2H3.
What are the key properties of 7-methoxy-2-prop-2-enyl-3H-1-benzazepine?
7-methoxy-2-prop-2-enyl-3H-1-benzazepine has a molecular weight of 213.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-prop-2-enyl-3H-1-benzazepine is sourced from PubChem (CID 153345450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).