6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one

C14H16N2O — CID 134987791

IUPAC6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1C(=C2NCCN2)CCCc2ccccc21
InChIInChI=1S/C14H16N2O/c17-13-11-6-2-1-4-10(11)5-3-7-12(13)14-15-8-9-16-14/h1-2,4,6,15-16H,3,5,7-9H2
InChIKeyMOKGGKSHASWHKR-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.61
Rot. Bonds

About 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one

6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 134987791) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID134987791
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1C(=C2NCCN2)CCCc2ccccc21
InChIInChI=1S/C14H16N2O/c17-13-11-6-2-1-4-10(11)5-3-7-12(13)14-15-8-9-16-14/h1-2,4,6,15-16H,3,5,7-9H2
InChIKeyMOKGGKSHASWHKR-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 134987791) is 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one is O=C1C(=C2NCCN2)CCCc2ccccc21.
What is the InChIKey of 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is MOKGGKSHASWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13-11-6-2-1-4-10(11)5-3-7-12(13)14-15-8-9-16-14/h1-2,4,6,15-16H,3,5,7-9H2.
What are the key properties of 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one?
6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 228.29 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazolidin-2-ylidene-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 134987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).