1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea

C8H16N2O — CID 108911440

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea
SMILESCNC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-8(2,3)5-6-10-7(11)9-4/h5-6H,1-4H3,(H2,9,10,11)/b6-5+
InChIKeyUACITRBHHHBJKR-AATRIKPKSA-N
MW156.23 g/mol
LogP1.48
Rot. Bonds1

About 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea

1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea (PubChem CID 108911440) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea
PubChem CID108911440
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea
SMILESCNC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-8(2,3)5-6-10-7(11)9-4/h5-6H,1-4H3,(H2,9,10,11)/b6-5+
InChIKeyUACITRBHHHBJKR-AATRIKPKSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108911441
1-(2,2-dimethoxyethyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911482
1,3-dimethylurea;prop-1-ene
CID 160798014
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911338
1-(2,6-dichlorophenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911530
1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911309
1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911426
1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911457
1-[(E)-3,3-dimethylbut-1-enyl]-3-(3-propan-2-yloxypropyl)urea
CID 108911431
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911333
2-[[(E)-3,3-dimethylbut-1-enyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 108911326

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea (CID 108911440) is 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea is CNC(=O)N/C=C/C(C)(C)C.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea?
The InChIKey is UACITRBHHHBJKR-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)5-6-10-7(11)9-4/h5-6H,1-4H3,(H2,9,10,11)/b6-5+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea?
1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea has a molecular weight of 156.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea is sourced from PubChem (CID 108911440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).