3-oxopentylurea

C6H12N2O2 — CID 19425945

IUPAC3-oxopentylurea
SMILESCCC(=O)CCNC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyNOQAWNIKLYFTII-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.02
Rot. Bonds4

About 3-oxopentylurea

3-oxopentylurea (PubChem CID 19425945) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-oxopentylurea.

Molecular Properties

Compound Name3-oxopentylurea
PubChem CID19425945
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-oxopentylurea
SMILESCCC(=O)CCNC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyNOQAWNIKLYFTII-UHFFFAOYSA-N
XLogP0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-oxopentylurea 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

2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide
CID 171804428
2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide
CID 144594706
5-oxoheptanamide
CID 54102648
ethane;2-hydroxyethylurea
CID 144763401
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
pentylurea;hydrate
CID 172845599
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
butylurea;silicic acid
CID 86735760

Frequently Asked Questions

What is the IUPAC name of 3-oxopentylurea?
The IUPAC name of 3-oxopentylurea (CID 19425945) is 3-oxopentylurea.
What is the SMILES notation for 3-oxopentylurea?
The canonical SMILES for 3-oxopentylurea is CCC(=O)CCNC(N)=O.
What is the InChIKey of 3-oxopentylurea?
The InChIKey is NOQAWNIKLYFTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10).
What are the key properties of 3-oxopentylurea?
3-oxopentylurea has a molecular weight of 144.17 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopentylurea is sourced from PubChem (CID 19425945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).