CID 102273448

C9H11NO+ — CID 102273448

IUPAC—
SMILESCN(C)c1ccc(C=[O+])cc1
InChIInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3/q+1
InChIKeyUKWUBCOXLSRKLQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.57
Rot. Bonds2

About CID 102273448

CID 102273448 (PubChem CID 102273448) has the molecular formula C9H11NO+ and a molecular weight of 149.19 g/mol.

Molecular Properties

Compound NameCID 102273448
PubChem CID102273448
Molecular FormulaC9H11NO+
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name—
SMILESCN(C)c1ccc(C=[O+])cc1
InChIInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3/q+1
InChIKeyUKWUBCOXLSRKLQ-UHFFFAOYSA-N
XLogP1.57
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
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4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
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4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
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CID 99649280
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CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
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N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
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Frequently Asked Questions

What is the IUPAC name of CID 102273448?
The IUPAC name of CID 102273448 (CID 102273448) is not available.
What is the SMILES notation for CID 102273448?
The canonical SMILES for CID 102273448 is CN(C)c1ccc(C=[O+])cc1.
What is the InChIKey of CID 102273448?
The InChIKey is UKWUBCOXLSRKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3/q+1.
What are the key properties of CID 102273448?
CID 102273448 has a molecular weight of 149.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102273448 is sourced from PubChem (CID 102273448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).