CID 58450354

C7H11NO2 — CID 58450354

IUPAC—
SMILES[CH]OCCN1CCCC1=O
InChIInChI=1S/C7H11NO2/c1-10-6-5-8-4-2-3-7(8)9/h1H,2-6H2
InChIKeyDUWGEXZKAMNLMK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.29
Rot. Bonds3

About CID 58450354

CID 58450354 (PubChem CID 58450354) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol.

Molecular Properties

Compound NameCID 58450354
PubChem CID58450354
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name—
SMILES[CH]OCCN1CCCC1=O
InChIInChI=1S/C7H11NO2/c1-10-6-5-8-4-2-3-7(8)9/h1H,2-6H2
InChIKeyDUWGEXZKAMNLMK-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxyethyl)-2-pyrrolidinone
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Methyl 2-oxo-1-pyrrolidineacetate
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2-Pyrrolidinone, 1-(2-hydroxyethyl)-, potassium salt (1:1)
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1-(2-Oxiranylmethyl)-2-pyrrolidinone
CID 2764025
Ammonium, (2-(2-(2-oxo-1-pyrrolidinyl)ethoxy)ethyl)trimethyl-, iodide
CID 20000
Ammonium, (2-(2-oxo-1-pyrrolidinylmethoxy)ethyl)trimethyl-, iodide
CID 20004
2-Pyrrolidinone, 1-((2-(1-pyrrolidinyl)ethoxy)methyl)-
CID 202081
1-(2-(Aminooxy)ethyl)pyrrolidin-2-one
CID 23132348
1-[2-(Ethenyloxy)ethyl]pyrrolidin-2-one
CID 225377
1-(Oxiran-2-ylmethyl)pyrrolidine-2,5-dione
CID 15637138
1-(1-Methoxypropyl)pyrrolidin-2-one
CID 16754618
2-(2-Oxopyrrolidin-1-yl)ethyl acetate
CID 20077594

Frequently Asked Questions

What is the IUPAC name of CID 58450354?
The IUPAC name of CID 58450354 (CID 58450354) is not available.
What is the SMILES notation for CID 58450354?
The canonical SMILES for CID 58450354 is [CH]OCCN1CCCC1=O.
What is the InChIKey of CID 58450354?
The InChIKey is DUWGEXZKAMNLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-6-5-8-4-2-3-7(8)9/h1H,2-6H2.
What are the key properties of CID 58450354?
CID 58450354 has a molecular weight of 141.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450354 is sourced from PubChem (CID 58450354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).