1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea

C9H16N2O2 — CID 108915818

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)N/C=C/C1CC1
InChIInChI=1S/C9H16N2O2/c1-7(12)6-11-9(13)10-5-4-8-2-3-8/h4-5,7-8,12H,2-3,6H2,1H3,(H2,10,11,13)/b5-4+
InChIKeyPUSNAKYYXAHOFZ-SNAWJCMRSA-N
MW184.24 g/mol
LogP0.59
Rot. Bonds4

About 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea

1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea (PubChem CID 108915818) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea
PubChem CID108915818
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)N/C=C/C1CC1
InChIInChI=1S/C9H16N2O2/c1-7(12)6-11-9(13)10-5-4-8-2-3-8/h4-5,7-8,12H,2-3,6H2,1H3,(H2,10,11,13)/b5-4+
InChIKeyPUSNAKYYXAHOFZ-SNAWJCMRSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea (CID 108915818) is 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)N/C=C/C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea?
The InChIKey is PUSNAKYYXAHOFZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)6-11-9(13)10-5-4-8-2-3-8/h4-5,7-8,12H,2-3,6H2,1H3,(H2,10,11,13)/b5-4+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea has a molecular weight of 184.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108915818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).