1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one

C19H20N2O — CID 139839868

IUPAC1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one
SMILESCC1(CC2CC2)C(=O)Nc2cccc(N)c2-c2ccccc21
InChIInChI=1S/C19H20N2O/c1-19(11-12-9-10-12)14-6-3-2-5-13(14)17-15(20)7-4-8-16(17)21-18(19)22/h2-8,12H,9-11,20H2,1H3,(H,21,22)
InChIKeyRGJBQYHSLOPWPQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.95
Rot. Bonds2

About 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one

1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one (PubChem CID 139839868) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one
PubChem CID139839868
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one
SMILESCC1(CC2CC2)C(=O)Nc2cccc(N)c2-c2ccccc21
InChIInChI=1S/C19H20N2O/c1-19(11-12-9-10-12)14-6-3-2-5-13(14)17-15(20)7-4-8-16(17)21-18(19)22/h2-8,12H,9-11,20H2,1H3,(H,21,22)
InChIKeyRGJBQYHSLOPWPQ-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one?
The IUPAC name of 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one (CID 139839868) is 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one is CC1(CC2CC2)C(=O)Nc2cccc(N)c2-c2ccccc21.
What is the InChIKey of 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one?
The InChIKey is RGJBQYHSLOPWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(11-12-9-10-12)14-6-3-2-5-13(14)17-15(20)7-4-8-16(17)21-18(19)22/h2-8,12H,9-11,20H2,1H3,(H,21,22).
What are the key properties of 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one?
1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one has a molecular weight of 292.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-(cyclopropylmethyl)-7-methyl-5H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 139839868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).