1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea

C9H18N2O2 — CID 108909941

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCCN(CCO)C(=O)NC=C(C)C
InChIInChI=1S/C9H18N2O2/c1-4-11(5-6-12)9(13)10-7-8(2)3/h7,12H,4-6H2,1-3H3,(H,10,13)
InChIKeyOECVUCUTCBQSON-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.93
Rot. Bonds4

About 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea

1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909941) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909941
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCCN(CCO)C(=O)NC=C(C)C
InChIInChI=1S/C9H18N2O2/c1-4-11(5-6-12)9(13)10-7-8(2)3/h7,12H,4-6H2,1-3H3,(H,10,13)
InChIKeyOECVUCUTCBQSON-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Bis(2-hydroxyethyl)-3-[2-(2-methylprop-2-enylperoxy)ethyl]urea
CID 20603625
[3-[Ethyl-[[ethyl(2-hydroxyethyl)amino]methyl]amino]-2-methyl-3-(methylamino)prop-1-enyl]azanium
CID 152834458
3-(2-hydroxyethyl)-4-methyl-1H-imidazol-2-one
CID 84013464
1-Ethyl-1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 108486694
1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909462
1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909571
1-(2-hydroxyethyl)-1-methyl-3-[(E)-prop-1-enyl]urea
CID 108909586
1-(2-Methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909803
1,1-Bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909832
1-(2-Hydroxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909908
4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide
CID 108909922
1-(3-Hydroxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909933

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea (CID 108909941) is 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea is CCN(CCO)C(=O)NC=C(C)C.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is OECVUCUTCBQSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-11(5-6-12)9(13)10-7-8(2)3/h7,12H,4-6H2,1-3H3,(H,10,13).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).