2-methylprop-1-ene;pyrrolidin-2-one

C8H15NO — CID 174928634

IUPAC2-methylprop-1-ene;pyrrolidin-2-one
SMILESC=C(C)C.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H8/c6-4-2-1-3-5-4;1-4(2)3/h1-3H2,(H,5,6);1H2,2-3H3
InChIKeyFIWFDTVPZADYRW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds

About 2-methylprop-1-ene;pyrrolidin-2-one

2-methylprop-1-ene;pyrrolidin-2-one (PubChem CID 174928634) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methylprop-1-ene;pyrrolidin-2-one.

Molecular Properties

Compound Name2-methylprop-1-ene;pyrrolidin-2-one
PubChem CID174928634
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methylprop-1-ene;pyrrolidin-2-one
SMILESC=C(C)C.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H8/c6-4-2-1-3-5-4;1-4(2)3/h1-3H2,(H,5,6);1H2,2-3H3
InChIKeyFIWFDTVPZADYRW-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;pyrrolidin-2-one
CID 18949514
ethene;bis(pyrrolidin-2-one)
CID 67822125
ethane;pyrrolidin-2-one
CID 54451151
benzene;1,1-difluoroethene;pyrrolidin-2-one
CID 174862990
astatane;pyrrolidin-2-one
CID 174831438
arsane;pyrrolidin-2-one
CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
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CID 174822551
magnesium;pyrrolidin-2-one;dibromide
CID 67853208
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
sodium;carbonic acid;pyrrolidin-2-one
CID 19352761
azepan-2-one;pyrrolidin-2-one
CID 22023756

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;pyrrolidin-2-one?
The IUPAC name of 2-methylprop-1-ene;pyrrolidin-2-one (CID 174928634) is 2-methylprop-1-ene;pyrrolidin-2-one.
What is the SMILES notation for 2-methylprop-1-ene;pyrrolidin-2-one?
The canonical SMILES for 2-methylprop-1-ene;pyrrolidin-2-one is C=C(C)C.O=C1CCCN1.
What is the InChIKey of 2-methylprop-1-ene;pyrrolidin-2-one?
The InChIKey is FIWFDTVPZADYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H8/c6-4-2-1-3-5-4;1-4(2)3/h1-3H2,(H,5,6);1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;pyrrolidin-2-one?
2-methylprop-1-ene;pyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;pyrrolidin-2-one is sourced from PubChem (CID 174928634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).