1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C15H26N2O2 — CID 129331428

IUPAC1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC=CCC1
InChIInChI=1S/C15H26N2O2/c1-11(2)14-12(8-9-19-14)10-16-15(18)17-13-6-4-3-5-7-13/h3-4,11-14H,5-10H2,1-2H3,(H2,16,17,18)/t12-,13-,14-/m1/s1
InChIKeyJKNXJUKHGZBDFF-MGPQQGTHSA-N
MW266.38 g/mol
LogP2.46
Rot. Bonds4

About 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 129331428) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID129331428
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC=CCC1
InChIInChI=1S/C15H26N2O2/c1-11(2)14-12(8-9-19-14)10-16-15(18)17-13-6-4-3-5-7-13/h3-4,11-14H,5-10H2,1-2H3,(H2,16,17,18)/t12-,13-,14-/m1/s1
InChIKeyJKNXJUKHGZBDFF-MGPQQGTHSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohex-3-en-1-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129000272
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424091
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424092
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424093
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
1-[(3-methyloxetan-3-yl)methyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999461
1-[(1S)-cyclohex-3-en-1-yl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97326679
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea
CID 111438902

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 129331428) is 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC=CCC1.
What is the InChIKey of 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is JKNXJUKHGZBDFF-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)14-12(8-9-19-14)10-16-15(18)17-13-6-4-3-5-7-13/h3-4,11-14H,5-10H2,1-2H3,(H2,16,17,18)/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 266.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 129331428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).