1-(4-hydroxycyclohexyl)-3-prop-2-enylurea

C10H18N2O2 — CID 130701517

IUPAC1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-7-11-10(14)12-8-3-5-9(13)6-4-8/h2,8-9,13H,1,3-7H2,(H2,11,12,14)
InChIKeyZLQPYVVZKQJULX-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.78
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea

1-(4-hydroxycyclohexyl)-3-prop-2-enylurea (PubChem CID 130701517) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
PubChem CID130701517
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-7-11-10(14)12-8-3-5-9(13)6-4-8/h2,8-9,13H,1,3-7H2,(H2,11,12,14)
InChIKeyZLQPYVVZKQJULX-UHFFFAOYSA-N
XLogP0.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
1-cyclopentyl-3-(2-oxoethyl)urea
CID 117235815
4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
4-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524947
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
2-[(4-hydroxycyclohexyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276890
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656
N-(2-aminoethyl)-N'-(4-hydroxycyclohexyl)oxamide
CID 43315763

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea (CID 130701517) is 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea is C=CCNC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea?
The InChIKey is ZLQPYVVZKQJULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-7-11-10(14)12-8-3-5-9(13)6-4-8/h2,8-9,13H,1,3-7H2,(H2,11,12,14).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea?
1-(4-hydroxycyclohexyl)-3-prop-2-enylurea has a molecular weight of 198.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-prop-2-enylurea is sourced from PubChem (CID 130701517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).