[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

C10H12CrO — CID 13379865

IUPAC[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCOC(=[Cr])C1=C(C)C2C=CC1C2
InChIInChI=1S/C10H12O.Cr/c1-7-8-3-4-9(5-8)10(7)6-11-2;/h3-4,8-9H,5H2,1-2H3;
InChIKeyNSHIPNPQQNZLKM-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.83
Rot. Bonds2

About [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (PubChem CID 13379865) has the molecular formula C10H12CrO and a molecular weight of 200.20 g/mol. Its IUPAC name is [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.

Molecular Properties

Compound Name[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
PubChem CID13379865
Molecular FormulaC10H12CrO
Molecular Weight200.20 g/mol
Exact Mass200.03
IUPAC Name[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCOC(=[Cr])C1=C(C)C2C=CC1C2
InChIInChI=1S/C10H12O.Cr/c1-7-8-3-4-9(5-8)10(7)6-11-2;/h3-4,8-9H,5H2,1-2H3;
InChIKeyNSHIPNPQQNZLKM-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[Difluoro(methoxy)methyl]-4-ethenylcyclohexene
CID 59938757
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene
CID 59938786
1-[Difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene
CID 59938796
1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
CID 59938823
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexene
CID 72601091
1-[Difluoro(methoxy)methyl]-2-fluoro-4-prop-1-enylcyclohexene
CID 72601102
(s)-4-(Prop-1-en-2-yl)-1-[(vinyloxy)methyl]cyclohex-1-ene
CID 12140153
Carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379864
(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
CID 162403390
2-(Methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 13395058
2-(Octoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 22754196
1-(Methoxymethyl)-4-methylcyclohexene
CID 54421346

Frequently Asked Questions

What is the IUPAC name of [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The IUPAC name of [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (CID 13379865) is [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.
What is the SMILES notation for [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The canonical SMILES for [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is COC(=[Cr])C1=C(C)C2C=CC1C2.
What is the InChIKey of [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The InChIKey is NSHIPNPQQNZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.Cr/c1-7-8-3-4-9(5-8)10(7)6-11-2;/h3-4,8-9H,5H2,1-2H3;.
What are the key properties of [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium has a molecular weight of 200.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is sourced from PubChem (CID 13379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).