ethane;pyrrol-2-one

C8H15NO — CID 123225157

IUPACethane;pyrrol-2-one
SMILESCC.CC.O=C1C=CC=N1
InChIInChI=1S/C4H3NO.2C2H6/c6-4-2-1-3-5-4;2*1-2/h1-3H;2*1-2H3
InChIKeyUEAYFWYGVHZGNS-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.21
Rot. Bonds

About ethane;pyrrol-2-one

ethane;pyrrol-2-one (PubChem CID 123225157) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;pyrrol-2-one.

Molecular Properties

Compound Nameethane;pyrrol-2-one
PubChem CID123225157
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;pyrrol-2-one
SMILESCC.CC.O=C1C=CC=N1
InChIInChI=1S/C4H3NO.2C2H6/c6-4-2-1-3-5-4;2*1-2/h1-3H;2*1-2H3
InChIKeyUEAYFWYGVHZGNS-UHFFFAOYSA-N
XLogP2.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyrrol-2-one
CID 14246795
Azoninone
CID 23322754
Methylpyrrolon
CID 57584021
Azonin-2-one
CID 74031286
Hydro-2h-azonin-2-one hydrochloride
CID 129655914
4-Acetyliminobut-2-enamide
CID 57165197
Pyrrol-2-one;hydrochloride
CID 57461391
Pyrrol-2-one
CID 66809756
Methoxymethane;pyrrol-2-one
CID 68539286
1-Methylpyrrol-1-ium-2-one
CID 68738709
Iridium;pyrrol-2-one
CID 87556634
Pyrrol-2-one;hydrate
CID 140999764

Frequently Asked Questions

What is the IUPAC name of ethane;pyrrol-2-one?
The IUPAC name of ethane;pyrrol-2-one (CID 123225157) is ethane;pyrrol-2-one.
What is the SMILES notation for ethane;pyrrol-2-one?
The canonical SMILES for ethane;pyrrol-2-one is CC.CC.O=C1C=CC=N1.
What is the InChIKey of ethane;pyrrol-2-one?
The InChIKey is UEAYFWYGVHZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO.2C2H6/c6-4-2-1-3-5-4;2*1-2/h1-3H;2*1-2H3.
What are the key properties of ethane;pyrrol-2-one?
ethane;pyrrol-2-one has a molecular weight of 141.21 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrrol-2-one is sourced from PubChem (CID 123225157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).