1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea

C9H18N2O2 — CID 108909953

IUPAC1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea
SMILESCCC(CO)NC(=O)NC=C(C)C
InChIInChI=1S/C9H18N2O2/c1-4-8(6-12)11-9(13)10-5-7(2)3/h5,8,12H,4,6H2,1-3H3,(H2,10,11,13)
InChIKeyYHPVMSZITONNPA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.98
Rot. Bonds4

About 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea

1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909953) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909953
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea
SMILESCCC(CO)NC(=O)NC=C(C)C
InChIInChI=1S/C9H18N2O2/c1-4-8(6-12)11-9(13)10-5-7(2)3/h5,8,12H,4,6H2,1-3H3,(H2,10,11,13)
InChIKeyYHPVMSZITONNPA-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea (CID 108909953) is 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea is CCC(CO)NC(=O)NC=C(C)C.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is YHPVMSZITONNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-8(6-12)11-9(13)10-5-7(2)3/h5,8,12H,4,6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea?
1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).