CID 58700032

C5H11NO- — CID 58700032

IUPAC—
SMILES[CH2-][N]CCCOC
InChIInChI=1S/C5H11NO/c1-6-4-3-5-7-2/h1,3-5H2,2H3/q-1
InChIKeyZJDYCCWQNFINGG-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.42
Rot. Bonds4

About CID 58700032

CID 58700032 (PubChem CID 58700032) has the molecular formula C5H11NO- and a molecular weight of 101.15 g/mol.

Molecular Properties

Compound NameCID 58700032
PubChem CID58700032
Molecular FormulaC5H11NO-
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name—
SMILES[CH2-][N]CCCOC
InChIInChI=1S/C5H11NO/c1-6-4-3-5-7-2/h1,3-5H2,2H3/q-1
InChIKeyZJDYCCWQNFINGG-UHFFFAOYSA-N
XLogP0.42
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58700032?
The IUPAC name of CID 58700032 (CID 58700032) is not available.
What is the SMILES notation for CID 58700032?
The canonical SMILES for CID 58700032 is [CH2-][N]CCCOC.
What is the InChIKey of CID 58700032?
The InChIKey is ZJDYCCWQNFINGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6-4-3-5-7-2/h1,3-5H2,2H3/q-1.
What are the key properties of CID 58700032?
CID 58700032 has a molecular weight of 101.15 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58700032 is sourced from PubChem (CID 58700032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).