ethane;5-methyl-3,4-dihydropyrrol-2-one

C7H13NO — CID 143323948

IUPACethane;5-methyl-3,4-dihydropyrrol-2-one
SMILESCC.CC1=NC(=O)CC1
InChIInChI=1S/C5H7NO.C2H6/c1-4-2-3-5(7)6-4;1-2/h2-3H2,1H3;1-2H3
InChIKeyOBHURIBSTOSGHM-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.79
Rot. Bonds

About ethane;5-methyl-3,4-dihydropyrrol-2-one

ethane;5-methyl-3,4-dihydropyrrol-2-one (PubChem CID 143323948) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;5-methyl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3,4-dihydropyrrol-2-one
PubChem CID143323948
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameethane;5-methyl-3,4-dihydropyrrol-2-one
SMILESCC.CC1=NC(=O)CC1
InChIInChI=1S/C5H7NO.C2H6/c1-4-2-3-5(7)6-4;1-2/h2-3H2,1H3;1-2H3
InChIKeyOBHURIBSTOSGHM-UHFFFAOYSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,4-dihydropyrrol-2-one?
The IUPAC name of ethane;5-methyl-3,4-dihydropyrrol-2-one (CID 143323948) is ethane;5-methyl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for ethane;5-methyl-3,4-dihydropyrrol-2-one?
The canonical SMILES for ethane;5-methyl-3,4-dihydropyrrol-2-one is CC.CC1=NC(=O)CC1.
What is the InChIKey of ethane;5-methyl-3,4-dihydropyrrol-2-one?
The InChIKey is OBHURIBSTOSGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c1-4-2-3-5(7)6-4;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3,4-dihydropyrrol-2-one?
ethane;5-methyl-3,4-dihydropyrrol-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 143323948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).