1,3-bis(prop-1-en-2-yl)urea

C7H12N2O — CID 87994803

IUPAC1,3-bis(prop-1-en-2-yl)urea
SMILESC=C(C)NC(=O)NC(=C)C
InChIInChI=1S/C7H12N2O/c1-5(2)8-7(10)9-6(3)4/h1,3H2,2,4H3,(H2,8,9,10)
InChIKeyJYCQFPWJHOBUMT-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.35
Rot. Bonds2

About 1,3-bis(prop-1-en-2-yl)urea

1,3-bis(prop-1-en-2-yl)urea (PubChem CID 87994803) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yl)urea
PubChem CID87994803
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1,3-bis(prop-1-en-2-yl)urea
SMILESC=C(C)NC(=O)NC(=C)C
InChIInChI=1S/C7H12N2O/c1-5(2)8-7(10)9-6(3)4/h1,3H2,2,4H3,(H2,8,9,10)
InChIKeyJYCQFPWJHOBUMT-UHFFFAOYSA-N
XLogP1.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-en-2-yl)urea?
The IUPAC name of 1,3-bis(prop-1-en-2-yl)urea (CID 87994803) is 1,3-bis(prop-1-en-2-yl)urea.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yl)urea?
The canonical SMILES for 1,3-bis(prop-1-en-2-yl)urea is C=C(C)NC(=O)NC(=C)C.
What is the InChIKey of 1,3-bis(prop-1-en-2-yl)urea?
The InChIKey is JYCQFPWJHOBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)8-7(10)9-6(3)4/h1,3H2,2,4H3,(H2,8,9,10).
What are the key properties of 1,3-bis(prop-1-en-2-yl)urea?
1,3-bis(prop-1-en-2-yl)urea has a molecular weight of 140.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yl)urea is sourced from PubChem (CID 87994803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).