1-butyl-3-prop-1-en-2-yl-1-propylurea

C11H22N2O — CID 108910280

IUPAC1-butyl-3-prop-1-en-2-yl-1-propylurea
SMILESC=C(C)NC(=O)N(CCC)CCCC
InChIInChI=1S/C11H22N2O/c1-5-7-9-13(8-6-2)11(14)12-10(3)4/h3,5-9H2,1-2,4H3,(H,12,14)
InChIKeyWZAYRQVNZSWQBK-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.74
Rot. Bonds6

About 1-butyl-3-prop-1-en-2-yl-1-propylurea

1-butyl-3-prop-1-en-2-yl-1-propylurea (PubChem CID 108910280) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-butyl-3-prop-1-en-2-yl-1-propylurea.

Molecular Properties

Compound Name1-butyl-3-prop-1-en-2-yl-1-propylurea
PubChem CID108910280
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-butyl-3-prop-1-en-2-yl-1-propylurea
SMILESC=C(C)NC(=O)N(CCC)CCCC
InChIInChI=1S/C11H22N2O/c1-5-7-9-13(8-6-2)11(14)12-10(3)4/h3,5-9H2,1-2,4H3,(H,12,14)
InChIKeyWZAYRQVNZSWQBK-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 22035327
1-Butyl-5-methyl-2-imidazolone
CID 26434
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-ethyl-3-propyl-1H-imidazol-2-one
CID 69521209
1-ethyl-4-methyl-2,3-dihydro-1H-imidazol-2-one
CID 81448417
1,1-Dimethyl-3-prop-1-en-2-ylurea
CID 88958871
1-Methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
1,1-Diethyl-3-prop-1-en-2-ylurea
CID 108910320
N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
CID 143490321
N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
CID 143490425
1-Cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
CID 144956343
1-[(E)-but-2-en-2-yl]-3-[3-(ethylamino)propyl]urea
CID 145488721

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-prop-1-en-2-yl-1-propylurea?
The IUPAC name of 1-butyl-3-prop-1-en-2-yl-1-propylurea (CID 108910280) is 1-butyl-3-prop-1-en-2-yl-1-propylurea.
What is the SMILES notation for 1-butyl-3-prop-1-en-2-yl-1-propylurea?
The canonical SMILES for 1-butyl-3-prop-1-en-2-yl-1-propylurea is C=C(C)NC(=O)N(CCC)CCCC.
What is the InChIKey of 1-butyl-3-prop-1-en-2-yl-1-propylurea?
The InChIKey is WZAYRQVNZSWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-9-13(8-6-2)11(14)12-10(3)4/h3,5-9H2,1-2,4H3,(H,12,14).
What are the key properties of 1-butyl-3-prop-1-en-2-yl-1-propylurea?
1-butyl-3-prop-1-en-2-yl-1-propylurea has a molecular weight of 198.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-prop-1-en-2-yl-1-propylurea is sourced from PubChem (CID 108910280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).