CID 156797750

C10H13BO — CID 156797750

IUPAC—
SMILES[B]C(/C=C\C=C)=C(\C)CC(C)=O
InChIInChI=1S/C10H13BO/c1-4-5-6-10(11)8(2)7-9(3)12/h4-6H,1,7H2,2-3H3/b6-5-,10-8+
InChIKeyZWKQPUUTWKAYKG-UGXDAERVSA-N
MW160.02 g/mol
LogP2.15
Rot. Bonds4

About CID 156797750

CID 156797750 (PubChem CID 156797750) has the molecular formula C10H13BO and a molecular weight of 160.02 g/mol.

Molecular Properties

Compound NameCID 156797750
PubChem CID156797750
Molecular FormulaC10H13BO
Molecular Weight160.02 g/mol
Exact Mass160.11
IUPAC Name—
SMILES[B]C(/C=C\C=C)=C(\C)CC(C)=O
InChIInChI=1S/C10H13BO/c1-4-5-6-10(11)8(2)7-9(3)12/h4-6H,1,7H2,2-3H3/b6-5-,10-8+
InChIKeyZWKQPUUTWKAYKG-UGXDAERVSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.02
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
1-[[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]amino]propan-2-one
CID 142835639
(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide
CID 144546397
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
Lithium pentane-2,4-dione
CID 86735745
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321

Frequently Asked Questions

What is the IUPAC name of CID 156797750?
The IUPAC name of CID 156797750 (CID 156797750) is not available.
What is the SMILES notation for CID 156797750?
The canonical SMILES for CID 156797750 is [B]C(/C=C\C=C)=C(\C)CC(C)=O.
What is the InChIKey of CID 156797750?
The InChIKey is ZWKQPUUTWKAYKG-UGXDAERVSA-N. The full InChI is InChI=1S/C10H13BO/c1-4-5-6-10(11)8(2)7-9(3)12/h4-6H,1,7H2,2-3H3/b6-5-,10-8+.
What are the key properties of CID 156797750?
CID 156797750 has a molecular weight of 160.02 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156797750 is sourced from PubChem (CID 156797750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).