ethane-1,2-diol;pyrrolidin-2-one

C6H13NO3 — CID 18352436

IUPACethane-1,2-diol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCCO
InChIInChI=1S/C4H7NO.C2H6O2/c6-4-2-1-3-5-4;3-1-2-4/h1-3H2,(H,5,6);3-4H,1-2H2
InChIKeyTVQFCUYSVLMXOC-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.13
Rot. Bonds1

About ethane-1,2-diol;pyrrolidin-2-one

ethane-1,2-diol;pyrrolidin-2-one (PubChem CID 18352436) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethane-1,2-diol;pyrrolidin-2-one.

Molecular Properties

Compound Nameethane-1,2-diol;pyrrolidin-2-one
PubChem CID18352436
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethane-1,2-diol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCCO
InChIInChI=1S/C4H7NO.C2H6O2/c6-4-2-1-3-5-4;3-1-2-4/h1-3H2,(H,5,6);3-4H,1-2H2
InChIKeyTVQFCUYSVLMXOC-UHFFFAOYSA-N
XLogP-1.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;pyrrolidin-2-one?
The IUPAC name of ethane-1,2-diol;pyrrolidin-2-one (CID 18352436) is ethane-1,2-diol;pyrrolidin-2-one.
What is the SMILES notation for ethane-1,2-diol;pyrrolidin-2-one?
The canonical SMILES for ethane-1,2-diol;pyrrolidin-2-one is O=C1CCCN1.OCCO.
What is the InChIKey of ethane-1,2-diol;pyrrolidin-2-one?
The InChIKey is TVQFCUYSVLMXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6O2/c6-4-2-1-3-5-4;3-1-2-4/h1-3H2,(H,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;pyrrolidin-2-one?
ethane-1,2-diol;pyrrolidin-2-one has a molecular weight of 147.17 g/mol, XLogP of -1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;pyrrolidin-2-one is sourced from PubChem (CID 18352436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).