propylurea

C4H10N2O — CID 12303

IUPACpropylurea
SMILESCCCNC(N)=O
InChIInChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKeyZQZJKHIIQFPZCS-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.06
Rot. Bonds2

About propylurea

propylurea (PubChem CID 12303) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is propylurea.

Molecular Properties

Compound Namepropylurea
PubChem CID12303
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Namepropylurea
SMILESCCCNC(N)=O
InChIInChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKeyZQZJKHIIQFPZCS-UHFFFAOYSA-N
XLogP0.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylurea
CID 12254
sec-Butylurea
CID 12715
Butylurea
CID 11595
Isopropylurea
CID 12725
N,N'-Bis(1-methylethyl)urea
CID 20084
sym-Diethylurea
CID 12194
Dibutylurea
CID 74523
1-(3-(Dimethylamino)propyl)urea
CID 3084542
N-Carbamoylputrescine
CID 502
Isobutylurea
CID 79051
Hexylurea
CID 75092
N-(3-Methylbutyl)urea
CID 69407

Frequently Asked Questions

What is the IUPAC name of propylurea?
The IUPAC name of propylurea (CID 12303) is propylurea.
What is the SMILES notation for propylurea?
The canonical SMILES for propylurea is CCCNC(N)=O.
What is the InChIKey of propylurea?
The InChIKey is ZQZJKHIIQFPZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7).
What are the key properties of propylurea?
propylurea has a molecular weight of 102.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylurea is sourced from PubChem (CID 12303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).