1,3-dimethylurea;prop-1-ene

C6H14N2O — CID 160798014

IUPAC1,3-dimethylurea;prop-1-ene
SMILESC=CC.CNC(=O)NC
InChIInChI=1S/C3H8N2O.C3H6/c1-4-3(6)5-2;1-3-2/h1-2H3,(H2,4,5,6);3H,1H2,2H3
InChIKeySCRQZJQEOVWCSA-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.74
Rot. Bonds

About 1,3-dimethylurea;prop-1-ene

1,3-dimethylurea;prop-1-ene (PubChem CID 160798014) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,3-dimethylurea;prop-1-ene.

Molecular Properties

Compound Name1,3-dimethylurea;prop-1-ene
PubChem CID160798014
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,3-dimethylurea;prop-1-ene
SMILESC=CC.CNC(=O)NC
InChIInChI=1S/C3H8N2O.C3H6/c1-4-3(6)5-2;1-3-2/h1-2H3,(H2,4,5,6);3H,1H2,2H3
InChIKeySCRQZJQEOVWCSA-UHFFFAOYSA-N
XLogP0.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.74
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

1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
benzene;1,3-dimethylurea;ethane;methyl cyanate;bis(prop-1-ene)
CID 142084216
carbanide;1,3-dimethylurea;ethane;yttrium
CID 158351244
1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea
CID 108911440
carbonic acid;phosphane;prop-1-ene
CID 174648548
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
methanol;bis(N-methylprop-2-enamide)
CID 175170531
azane;bis(propan-2-one);bis(prop-1-ene);dihydrate
CID 157292140
acetic acid;carbonic acid;prop-1-ene
CID 87718804
disodium;prop-1-ene;carbonate
CID 174861808
bis(prop-1-ene);prop-2-enoic acid
CID 118194844

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea;prop-1-ene?
The IUPAC name of 1,3-dimethylurea;prop-1-ene (CID 160798014) is 1,3-dimethylurea;prop-1-ene.
What is the SMILES notation for 1,3-dimethylurea;prop-1-ene?
The canonical SMILES for 1,3-dimethylurea;prop-1-ene is C=CC.CNC(=O)NC.
What is the InChIKey of 1,3-dimethylurea;prop-1-ene?
The InChIKey is SCRQZJQEOVWCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C3H6/c1-4-3(6)5-2;1-3-2/h1-2H3,(H2,4,5,6);3H,1H2,2H3.
What are the key properties of 1,3-dimethylurea;prop-1-ene?
1,3-dimethylurea;prop-1-ene has a molecular weight of 130.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea;prop-1-ene is sourced from PubChem (CID 160798014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).