propan-2-ylurea

C4H10N2O — CID 12725

IUPACpropan-2-ylurea
SMILESCC(C)NC(N)=O
InChIInChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChIKeyLZMATGARSSLFMQ-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.06
Rot. Bonds1

About propan-2-ylurea

propan-2-ylurea (PubChem CID 12725) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is propan-2-ylurea.

Molecular Properties

Compound Namepropan-2-ylurea
PubChem CID12725
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Namepropan-2-ylurea
SMILESCC(C)NC(N)=O
InChIInChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChIKeyLZMATGARSSLFMQ-UHFFFAOYSA-N
XLogP0.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of propan-2-ylurea?
The IUPAC name of propan-2-ylurea (CID 12725) is propan-2-ylurea.
What is the SMILES notation for propan-2-ylurea?
The canonical SMILES for propan-2-ylurea is CC(C)NC(N)=O.
What is the InChIKey of propan-2-ylurea?
The InChIKey is LZMATGARSSLFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7).
What are the key properties of propan-2-ylurea?
propan-2-ylurea has a molecular weight of 102.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylurea is sourced from PubChem (CID 12725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).