1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea

C10H20N2O — CID 166800460

IUPAC1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea
SMILESC=CN(C(=O)N(C)C(C)C)C(C)C
InChIInChI=1S/C10H20N2O/c1-7-12(9(4)5)10(13)11(6)8(2)3/h7-9H,1H2,2-6H3
InChIKeyIEBAPPYNSMCUKQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds3

About 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea

1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea (PubChem CID 166800460) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea
PubChem CID166800460
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea
SMILESC=CN(C(=O)N(C)C(C)C)C(C)C
InChIInChI=1S/C10H20N2O/c1-7-12(9(4)5)10(13)11(6)8(2)3/h7-9H,1H2,2-6H3
InChIKeyIEBAPPYNSMCUKQ-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
N'-ethenyl-N'-propan-2-ylpentanediamide
CID 59324613
N-ethenyl-N-propan-2-yldecanamide
CID 87389049
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
methyl(propan-2-yl)carbamothioic S-acid
CID 21387845
N-methyl-N-propan-2-ylcarbamoyl bromide
CID 115193360
1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea
CID 159273198
S-methyl N-methyl-N-propan-2-ylcarbamothioate
CID 139377441

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea?
The IUPAC name of 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea (CID 166800460) is 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea is C=CN(C(=O)N(C)C(C)C)C(C)C.
What is the InChIKey of 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea?
The InChIKey is IEBAPPYNSMCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7-12(9(4)5)10(13)11(6)8(2)3/h7-9H,1H2,2-6H3.
What are the key properties of 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea?
1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea has a molecular weight of 184.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 166800460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).