CID 100924956

C9H10NO — CID 100924956

IUPAC—
SMILESO[C](c1ccccc1)N1CC1
InChIInChI=1S/C9H10NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChIKeyIFBFGRGJTRCJDC-UHFFFAOYSA-N
MW148.19 g/mol
LogP1.21
Rot. Bonds2

About CID 100924956

CID 100924956 (PubChem CID 100924956) has the molecular formula C9H10NO and a molecular weight of 148.19 g/mol.

Molecular Properties

Compound NameCID 100924956
PubChem CID100924956
Molecular FormulaC9H10NO
Molecular Weight148.19 g/mol
Exact Mass148.08
IUPAC Name—
SMILESO[C](c1ccccc1)N1CC1
InChIInChI=1S/C9H10NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChIKeyIFBFGRGJTRCJDC-UHFFFAOYSA-N
XLogP1.21
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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4-benzoylpiperazine-1-carbothialdehyde
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1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 15190945
1-(1-phenylethenyl)-4-propan-2-ylpiperazine
CID 122606078
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
benzoic acid;1,4-dimethylpiperazine
CID 166460840
2-phenyl-2-(15N)pyrrolidin-1-ylethenimine
CID 10797852
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391

Frequently Asked Questions

What is the IUPAC name of CID 100924956?
The IUPAC name of CID 100924956 (CID 100924956) is not available.
What is the SMILES notation for CID 100924956?
The canonical SMILES for CID 100924956 is O[C](c1ccccc1)N1CC1.
What is the InChIKey of CID 100924956?
The InChIKey is IFBFGRGJTRCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h1-5,11H,6-7H2.
What are the key properties of CID 100924956?
CID 100924956 has a molecular weight of 148.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100924956 is sourced from PubChem (CID 100924956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).