7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine

C14H19NO — CID 23331357

IUPAC7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESC=CCN1CCc2ccc(OC)cc2CC1
InChIInChI=1S/C14H19NO/c1-3-8-15-9-6-12-4-5-14(16-2)11-13(12)7-10-15/h3-5,11H,1,6-10H2,2H3
InChIKeyMHTGTIHMTACYDP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.28
Rot. Bonds3

About 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine

7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 23331357) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID23331357
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESC=CCN1CCc2ccc(OC)cc2CC1
InChIInChI=1S/C14H19NO/c1-3-8-15-9-6-12-4-5-14(16-2)11-13(12)7-10-15/h3-5,11H,1,6-10H2,2H3
InChIKeyMHTGTIHMTACYDP-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23331338
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 22904998
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine (CID 23331357) is 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine is C=CCN1CCc2ccc(OC)cc2CC1.
What is the InChIKey of 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is MHTGTIHMTACYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-8-15-9-6-12-4-5-14(16-2)11-13(12)7-10-15/h3-5,11H,1,6-10H2,2H3.
What are the key properties of 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine?
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 217.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 23331357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).