CID 58450299

C9H11NO — CID 58450299

IUPAC—
SMILES[CH]OCCCc1cccnc1
InChIInChI=1S/C9H11NO/c1-11-7-3-5-9-4-2-6-10-8-9/h1-2,4,6,8H,3,5,7H2
InChIKeyRWEUQQKBSCAZKJ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.70
Rot. Bonds4

About CID 58450299

CID 58450299 (PubChem CID 58450299) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol.

Molecular Properties

Compound NameCID 58450299
PubChem CID58450299
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name—
SMILES[CH]OCCCc1cccnc1
InChIInChI=1S/C9H11NO/c1-11-7-3-5-9-4-2-6-10-8-9/h1-2,4,6,8H,3,5,7H2
InChIKeyRWEUQQKBSCAZKJ-UHFFFAOYSA-N
XLogP1.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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8-pyridin-3-yloctan-1-ol
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O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
CID 44784866
3-(5-methylhexyl)pyridine
CID 54316004
3-pyridin-3-ylpropyl 2-sulfanylbutanoate
CID 88778268
3-pyridin-3-ylpropyl N-benzylcarbamate
CID 10333345

Frequently Asked Questions

What is the IUPAC name of CID 58450299?
The IUPAC name of CID 58450299 (CID 58450299) is not available.
What is the SMILES notation for CID 58450299?
The canonical SMILES for CID 58450299 is [CH]OCCCc1cccnc1.
What is the InChIKey of CID 58450299?
The InChIKey is RWEUQQKBSCAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-11-7-3-5-9-4-2-6-10-8-9/h1-2,4,6,8H,3,5,7H2.
What are the key properties of CID 58450299?
CID 58450299 has a molecular weight of 149.19 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450299 is sourced from PubChem (CID 58450299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).