CID 135034339

C11H12NO — CID 135034339

IUPAC—
SMILESO=C(c1[c]cccc1)N1CCCC1
InChIInChI=1S/C11H12NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6H,4-5,8-9H2
InChIKeyUVAFCSBCPHJNEW-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.72
Rot. Bonds1

About CID 135034339

CID 135034339 (PubChem CID 135034339) has the molecular formula C11H12NO and a molecular weight of 174.22 g/mol.

Molecular Properties

Compound NameCID 135034339
PubChem CID135034339
Molecular FormulaC11H12NO
Molecular Weight174.22 g/mol
Exact Mass174.09
IUPAC Name—
SMILESO=C(c1[c]cccc1)N1CCCC1
InChIInChI=1S/C11H12NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6H,4-5,8-9H2
InChIKeyUVAFCSBCPHJNEW-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(piperidine-1-carbonyl)phenolate
CID 101121314
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-iodophenyl)-piperidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of CID 135034339?
The IUPAC name of CID 135034339 (CID 135034339) is not available.
What is the SMILES notation for CID 135034339?
The canonical SMILES for CID 135034339 is O=C(c1[c]cccc1)N1CCCC1.
What is the InChIKey of CID 135034339?
The InChIKey is UVAFCSBCPHJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6H,4-5,8-9H2.
What are the key properties of CID 135034339?
CID 135034339 has a molecular weight of 174.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135034339 is sourced from PubChem (CID 135034339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).