1,1-dimethyl-3-[(E)-prop-1-enyl]urea

C6H12N2O — CID 11819097

IUPAC1,1-dimethyl-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-4-5-7-6(9)8(2)3/h4-5H,1-3H3,(H,7,9)/b5-4+
InChIKeyIIGCYQPNZRSCLY-SNAWJCMRSA-N
MW128.17 g/mol
LogP0.79
Rot. Bonds1

About 1,1-dimethyl-3-[(E)-prop-1-enyl]urea

1,1-dimethyl-3-[(E)-prop-1-enyl]urea (PubChem CID 11819097) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(E)-prop-1-enyl]urea
PubChem CID11819097
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,1-dimethyl-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-4-5-7-6(9)8(2)3/h4-5H,1-3H3,(H,7,9)/b5-4+
InChIKeyIIGCYQPNZRSCLY-SNAWJCMRSA-N
XLogP0.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(E)-prop-1-enyl]urea (CID 11819097) is 1,1-dimethyl-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(E)-prop-1-enyl]urea?
The InChIKey is IIGCYQPNZRSCLY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5-7-6(9)8(2)3/h4-5H,1-3H3,(H,7,9)/b5-4+.
What are the key properties of 1,1-dimethyl-3-[(E)-prop-1-enyl]urea?
1,1-dimethyl-3-[(E)-prop-1-enyl]urea has a molecular weight of 128.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 11819097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).