(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

C18H18N2O — CID 46196409

IUPAC(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESCc1cccc(N/N=C2/CCCc3ccccc3C2=O)c1
InChIInChI=1S/C18H18N2O/c1-13-6-4-9-15(12-13)19-20-17-11-5-8-14-7-2-3-10-16(14)18(17)21/h2-4,6-7,9-10,12,19H,5,8,11H2,1H3/b20-17-
InChIKeyRLHGLZMPPOWZJZ-JZJYNLBNSA-N
MW278.36 g/mol
LogP3.98
Rot. Bonds2

About (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 46196409) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID46196409
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESCc1cccc(N/N=C2/CCCc3ccccc3C2=O)c1
InChIInChI=1S/C18H18N2O/c1-13-6-4-9-15(12-13)19-20-17-11-5-8-14-7-2-3-10-16(14)18(17)21/h2-4,6-7,9-10,12,19H,5,8,11H2,1H3/b20-17-
InChIKeyRLHGLZMPPOWZJZ-JZJYNLBNSA-N
XLogP3.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 92525608
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
CID 6217133
(Z)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3,4-dihydro-2H-naphthalen-1-imine
CID 6156898
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline
CID 9060522
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161861
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline
CID 54610436
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine
CID 3889948

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 46196409) is (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is Cc1cccc(N/N=C2/CCCc3ccccc3C2=O)c1.
What is the InChIKey of (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is RLHGLZMPPOWZJZ-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-6-4-9-15(12-13)19-20-17-11-5-8-14-7-2-3-10-16(14)18(17)21/h2-4,6-7,9-10,12,19H,5,8,11H2,1H3/b20-17-.
What are the key properties of (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 278.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 46196409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).