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

C7H14N2O — CID 90473859

IUPAC1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/N(C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-5-6-9(4)7(10)8(2)3/h5-6H,1-4H3/b6-5+
InChIKeyNBYHJFOVLVOHRT-AATRIKPKSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

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

1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea (PubChem CID 90473859) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
PubChem CID90473859
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/N(C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-5-6-9(4)7(10)8(2)3/h5-6H,1-4H3/b6-5+
InChIKeyNBYHJFOVLVOHRT-AATRIKPKSA-N
XLogP1.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea (CID 90473859) is 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea is C/C=C/N(C)C(=O)N(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea?
The InChIKey is NBYHJFOVLVOHRT-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-6-9(4)7(10)8(2)3/h5-6H,1-4H3/b6-5+.
What are the key properties of 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea?
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 90473859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).