1,3-dihydropyrrol-2-one;molecular hydrogen

C4H7NO — CID 143760085

IUPAC1,3-dihydropyrrol-2-one;molecular hydrogen
SMILESO=C1CC=CN1.[H][H]
InChIInChI=1S/C4H5NO.H2/c6-4-2-1-3-5-4;/h1,3H,2H2,(H,5,6);1H
InChIKeyHBHGSWBXMRGPTN-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.27
Rot. Bonds

About 1,3-dihydropyrrol-2-one;molecular hydrogen

1,3-dihydropyrrol-2-one;molecular hydrogen (PubChem CID 143760085) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 1,3-dihydropyrrol-2-one;molecular hydrogen.

Molecular Properties

Compound Name1,3-dihydropyrrol-2-one;molecular hydrogen
PubChem CID143760085
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name1,3-dihydropyrrol-2-one;molecular hydrogen
SMILESO=C1CC=CN1.[H][H]
InChIInChI=1S/C4H5NO.H2/c6-4-2-1-3-5-4;/h1,3H,2H2,(H,5,6);1H
InChIKeyHBHGSWBXMRGPTN-UHFFFAOYSA-N
XLogP0.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3-dihydropyrrol-2-one;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbamodithioic acid;1,3-dihydropyrrol-2-one
CID 87774451
1,3-dihydropyrrol-2-one;pyrrolidin-2-one
CID 172734146
1,3-dihydroazepin-2-one;hydrochloride
CID 172798997
3,4-dihydro-1H-pyridin-2-one
CID 10898648
1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate
CID 175889137
1,4-dihydroquinoline;ethane;molecular hydrogen
CID 142433841
methyl 2-oxo-1,3-dihydroazepine-5-carboxylate
CID 14983558
2-methyl-2,5-dihydro-1H-pyridin-6-one
CID 55303421
3-fluoro-3,4-dihydro-1H-pyridin-2-one
CID 54128847
4-acetyl-1,3-dihydroazepin-2-one
CID 13253304
1,4-dihydroquinoline;hydrochloride
CID 70537011
2,3-dimethyl-1,2,3,6-tetrahydroazepin-7-one
CID 123935100

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrol-2-one;molecular hydrogen?
The IUPAC name of 1,3-dihydropyrrol-2-one;molecular hydrogen (CID 143760085) is 1,3-dihydropyrrol-2-one;molecular hydrogen.
What is the SMILES notation for 1,3-dihydropyrrol-2-one;molecular hydrogen?
The canonical SMILES for 1,3-dihydropyrrol-2-one;molecular hydrogen is O=C1CC=CN1.[H][H].
What is the InChIKey of 1,3-dihydropyrrol-2-one;molecular hydrogen?
The InChIKey is HBHGSWBXMRGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.H2/c6-4-2-1-3-5-4;/h1,3H,2H2,(H,5,6);1H.
What are the key properties of 1,3-dihydropyrrol-2-one;molecular hydrogen?
1,3-dihydropyrrol-2-one;molecular hydrogen has a molecular weight of 85.11 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrol-2-one;molecular hydrogen is sourced from PubChem (CID 143760085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).