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

C9H16N2O — CID 10464711

IUPAC1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea
SMILESC/C=C/N(/C=C/C)C(=O)N(C)C
InChIInChI=1S/C9H16N2O/c1-5-7-11(8-6-2)9(12)10(3)4/h5-8H,1-4H3/b7-5+,8-6+
InChIKeyGHDQNUGKRDGNKA-KQQUZDAGSA-N
MW168.24 g/mol
LogP2.04
Rot. Bonds2

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

1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea (PubChem CID 10464711) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea
PubChem CID10464711
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea
SMILESC/C=C/N(/C=C/C)C(=O)N(C)C
InChIInChI=1S/C9H16N2O/c1-5-7-11(8-6-2)9(12)10(3)4/h5-8H,1-4H3/b7-5+,8-6+
InChIKeyGHDQNUGKRDGNKA-KQQUZDAGSA-N
XLogP2.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea?
The IUPAC name of 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea (CID 10464711) is 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea?
The canonical SMILES for 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea is C/C=C/N(/C=C/C)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea?
The InChIKey is GHDQNUGKRDGNKA-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7-11(8-6-2)9(12)10(3)4/h5-8H,1-4H3/b7-5+,8-6+.
What are the key properties of 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea?
1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea has a molecular weight of 168.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea is sourced from PubChem (CID 10464711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).