8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one

C16H18N2O — CID 164598410

IUPAC8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
SMILESC=CC1=C(/C=C\C)C(=O)N(C)Cc2cc(N)ccc21
InChIInChI=1S/C16H18N2O/c1-4-6-15-13(5-2)14-8-7-12(17)9-11(14)10-18(3)16(15)19/h4-9H,2,10,17H2,1,3H3/b6-4-
InChIKeyLWVOGYNDJZWNMG-XQRVVYSFSA-N
MW254.33 g/mol
LogP2.76
Rot. Bonds2

About 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one

8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one (PubChem CID 164598410) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
PubChem CID164598410
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
SMILESC=CC1=C(/C=C\C)C(=O)N(C)Cc2cc(N)ccc21
InChIInChI=1S/C16H18N2O/c1-4-6-15-13(5-2)14-8-7-12(17)9-11(14)10-18(3)16(15)19/h4-9H,2,10,17H2,1,3H3/b6-4-
InChIKeyLWVOGYNDJZWNMG-XQRVVYSFSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethenyl-1-[2-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfanyl]ethyl]-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 144854344
5-amino-2-tert-butyl-3H-isoindol-1-one
CID 130019061
5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 91664637
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376
ethane;(3Z,5Z)-3-ethenyl-5-hydrazinyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazocin-6-amine
CID 177012631
5-amino-2-prop-1-enylisoindole-1,3-dione
CID 54131075
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
CID 156882709
2-methyl-6-sulfanyl-3H-isoindol-1-one
CID 146588374
5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophene-2-carbaldehyde
CID 72793095
2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
CID 142424522
6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one
CID 68660881

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one?
The IUPAC name of 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one (CID 164598410) is 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one.
What is the SMILES notation for 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one?
The canonical SMILES for 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one is C=CC1=C(/C=C\C)C(=O)N(C)Cc2cc(N)ccc21.
What is the InChIKey of 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one?
The InChIKey is LWVOGYNDJZWNMG-XQRVVYSFSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-6-15-13(5-2)14-8-7-12(17)9-11(14)10-18(3)16(15)19/h4-9H,2,10,17H2,1,3H3/b6-4-.
What are the key properties of 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one?
8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one has a molecular weight of 254.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one is sourced from PubChem (CID 164598410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).