cyclopropene;urea

C4H8N2O — CID 175070849

IUPACcyclopropene;urea
SMILESC1=CC1.NC(N)=O
InChIInChI=1S/C3H4.CH4N2O/c1-2-3-1;2-1(3)4/h1-2H,3H2;(H4,2,3,4)
InChIKeyNPZHFYDLVRYYRG-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.03
Rot. Bonds

About cyclopropene;urea

cyclopropene;urea (PubChem CID 175070849) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is cyclopropene;urea.

Molecular Properties

Compound Namecyclopropene;urea
PubChem CID175070849
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Namecyclopropene;urea
SMILESC1=CC1.NC(N)=O
InChIInChI=1S/C3H4.CH4N2O/c1-2-3-1;2-1(3)4/h1-2H,3H2;(H4,2,3,4)
InChIKeyNPZHFYDLVRYYRG-UHFFFAOYSA-N
XLogP-0.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diamino(113C)methanone
CID 636363
azanium urea
CID 22635082
barium(2+);urea
CID 22402807
CID 87675783
CID 87675783
azane;urea
CID 158949980
CID 159010976
CID 159010976
ruthenium;urea
CID 161030938
lithium urea
CID 22107644
niobium;urea
CID 159338844
samarium;urea
CID 175944196
CID 88605054
CID 88605054
tantalum;urea
CID 159758921

Frequently Asked Questions

What is the IUPAC name of cyclopropene;urea?
The IUPAC name of cyclopropene;urea (CID 175070849) is cyclopropene;urea.
What is the SMILES notation for cyclopropene;urea?
The canonical SMILES for cyclopropene;urea is C1=CC1.NC(N)=O.
What is the InChIKey of cyclopropene;urea?
The InChIKey is NPZHFYDLVRYYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.CH4N2O/c1-2-3-1;2-1(3)4/h1-2H,3H2;(H4,2,3,4).
What are the key properties of cyclopropene;urea?
cyclopropene;urea has a molecular weight of 100.12 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropene;urea is sourced from PubChem (CID 175070849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).