3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C15H26N2O2 — CID 97019741

IUPAC3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)N[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-8-17(9-10-18)15(19)16-14-11-13(14)12-6-4-3-5-7-12/h2,12-14,18H,1,3-11H2,(H,16,19)/t13-,14+/m0/s1
InChIKeyDSGKCWVHJBFTCQ-UONOGXRCSA-N
MW266.38 g/mol
LogP2.15
Rot. Bonds6

About 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 97019741) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID97019741
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)N[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-8-17(9-10-18)15(19)16-14-11-13(14)12-6-4-3-5-7-12/h2,12-14,18H,1,3-11H2,(H,16,19)/t13-,14+/m0/s1
InChIKeyDSGKCWVHJBFTCQ-UONOGXRCSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111841052
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424120
3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398738
3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111443397
1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
CID 86964529
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 97019741) is 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)N[C@@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is DSGKCWVHJBFTCQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-8-17(9-10-18)15(19)16-14-11-13(14)12-6-4-3-5-7-12/h2,12-14,18H,1,3-11H2,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 266.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 97019741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).