CID 163262165

C14H13B — CID 163262165

IUPAC—
SMILES[B]c1ccc(C(=C)C2=CC=CCC2)cc1
InChIInChI=1S/C14H13B/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-3,5,7-10H,1,4,6H2
InChIKeyKRODCUDQICFXFV-UHFFFAOYSA-N
MW192.07 g/mol
LogP2.77
Rot. Bonds2

About CID 163262165

CID 163262165 (PubChem CID 163262165) has the molecular formula C14H13B and a molecular weight of 192.07 g/mol.

Molecular Properties

Compound NameCID 163262165
PubChem CID163262165
Molecular FormulaC14H13B
Molecular Weight192.07 g/mol
Exact Mass192.11
IUPAC Name—
SMILES[B]c1ccc(C(=C)C2=CC=CCC2)cc1
InChIInChI=1S/C14H13B/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-3,5,7-10H,1,4,6H2
InChIKeyKRODCUDQICFXFV-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane
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1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
CID 143157763
1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene
CID 143759676
(1Z)-3-cyclohexa-1,3-dien-1-yl-1-iodobuta-1,3-dien-1-amine
CID 166738369
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
cyclohexa-1,3-diene-1-carbonyl benzenecarboperoxoate
CID 118054583
1-[(3Z)-5-cyclobuta-1,2,3-trien-1-ylhexa-1,3,5-trien-2-yl]cyclohexa-1,3-diene
CID 143388576
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
amino cyclohexa-1,3-diene-1-carboxylate
CID 163575650
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
tert-butyl-[4-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)phenyl]iodanium
CID 166131634

Frequently Asked Questions

What is the IUPAC name of CID 163262165?
The IUPAC name of CID 163262165 (CID 163262165) is not available.
What is the SMILES notation for CID 163262165?
The canonical SMILES for CID 163262165 is [B]c1ccc(C(=C)C2=CC=CCC2)cc1.
What is the InChIKey of CID 163262165?
The InChIKey is KRODCUDQICFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13B/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-3,5,7-10H,1,4,6H2.
What are the key properties of CID 163262165?
CID 163262165 has a molecular weight of 192.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163262165 is sourced from PubChem (CID 163262165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).