(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one

C11H9NO2 — CID 134877412

IUPAC(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one
SMILESO=C1C2=C(/C=C\C=C/C=C\2)C/C1=N/O
InChIInChI=1S/C11H9NO2/c13-11-9-6-4-2-1-3-5-8(9)7-10(11)12-14/h1-6,14H,7H2/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+,12-10-
InChIKeySIDVTEGRBDMHCR-NAHFMEDGSA-N
MW187.20 g/mol
LogP1.77
Rot. Bonds

About (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one

(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one (PubChem CID 134877412) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one
PubChem CID134877412
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one
SMILESO=C1C2=C(/C=C\C=C/C=C\2)C/C1=N/O
InChIInChI=1S/C11H9NO2/c13-11-9-6-4-2-1-3-5-8(9)7-10(11)12-14/h1-6,14H,7H2/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+,12-10-
InChIKeySIDVTEGRBDMHCR-NAHFMEDGSA-N
XLogP1.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.77
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one
CID 134924844
(E)-4-[(5E)-5-hydroxyiminocyclohexen-1-yl]but-3-en-2-one
CID 57729300
(2E,4Z)-9-hydroxyiminocyclododeca-2,4-dien-1-one
CID 88064947
1-(6-Ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one
CID 88876154
(E)-4-(5-hydroxyiminocyclohexen-1-yl)but-3-en-2-one
CID 91331457
(E)-4-[(5Z)-5-hydroxyiminocyclohexen-1-yl]but-3-en-2-one
CID 91540164
ethane;(2E,3Z,5E)-2-ethylidene-5-hydroxyimino-3-prop-2-enylidenecyclopentan-1-one
CID 141982616
(2E,4E,5Z)-4-ethylidene-2-hydroxyiminoocta-5,7-dien-3-one
CID 142936091
4,5-Bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione
CID 144731280
1-[(6Z)-6-hydroxyiminocyclohexa-1,3-dien-1-yl]ethanone
CID 73013748
1-[(6E)-6-hydroxyiminocyclohexa-1,3-dien-1-yl]ethanone
CID 76853067
(2E,3Z,5E)-2-ethylidene-5-hydroxyimino-3-prop-2-enylidenecyclopentan-1-one
CID 141982617

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one?
The IUPAC name of (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one (CID 134877412) is (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one.
What is the SMILES notation for (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one?
The canonical SMILES for (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one is O=C1C2=C(/C=C\C=C/C=C\2)C/C1=N/O.
What is the InChIKey of (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one?
The InChIKey is SIDVTEGRBDMHCR-NAHFMEDGSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-9-6-4-2-1-3-5-8(9)7-10(11)12-14/h1-6,14H,7H2/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+,12-10-.
What are the key properties of (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one?
(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one has a molecular weight of 187.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one is sourced from PubChem (CID 134877412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).