CID 101008842

C11H13 — CID 101008842

IUPAC—
SMILES[CH2]C(/C=C/C)c1ccccc1
InChIInChI=1S/C11H13/c1-3-7-10(2)11-8-5-4-6-9-11/h3-10H,2H2,1H3/b7-3+
InChIKeyZEOZHGXCJSPGGU-XVNBXDOJSA-N
MW145.22 g/mol
LogP3.18
Rot. Bonds2

About CID 101008842

CID 101008842 (PubChem CID 101008842) has the molecular formula C11H13 and a molecular weight of 145.22 g/mol.

Molecular Properties

Compound NameCID 101008842
PubChem CID101008842
Molecular FormulaC11H13
Molecular Weight145.22 g/mol
Exact Mass145.10
IUPAC Name—
SMILES[CH2]C(/C=C/C)c1ccccc1
InChIInChI=1S/C11H13/c1-3-7-10(2)11-8-5-4-6-9-11/h3-10H,2H2,1H3/b7-3+
InChIKeyZEOZHGXCJSPGGU-XVNBXDOJSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2E,5E)-hepta-2,5-dien-4-yl]benzene
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[(Z)-pent-3-en-2-yl]benzene
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CID 146497381
1-phenylpent-3-ene-1,2-diol
CID 72819461
[(E,1S)-1-methoxybut-2-enyl]benzene
CID 129385395
trichloro(1-phenylbut-2-enyl)silane
CID 139646025
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
(E,2S,3R)-2,3-diphenylhex-4-enal
CID 101207780
(E)-2-phenylpent-3-en-1-amine
CID 131236812
CID 101008835
CID 101008835
1-phenyl-N,N-bis(trimethylsilyl)but-2-en-1-amine
CID 67705905
5-phenylhept-2-en-4-amine
CID 174938173

Frequently Asked Questions

What is the IUPAC name of CID 101008842?
The IUPAC name of CID 101008842 (CID 101008842) is not available.
What is the SMILES notation for CID 101008842?
The canonical SMILES for CID 101008842 is [CH2]C(/C=C/C)c1ccccc1.
What is the InChIKey of CID 101008842?
The InChIKey is ZEOZHGXCJSPGGU-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H13/c1-3-7-10(2)11-8-5-4-6-9-11/h3-10H,2H2,1H3/b7-3+.
What are the key properties of CID 101008842?
CID 101008842 has a molecular weight of 145.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101008842 is sourced from PubChem (CID 101008842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).