3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one

C16H25NO3 — CID 101202987

IUPAC3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC(C)C(CC1CCCCC1)C(=O)N1CCOC1=O
InChIInChI=1S/C16H25NO3/c1-3-12(2)14(11-13-7-5-4-6-8-13)15(18)17-9-10-20-16(17)19/h3,12-14H,1,4-11H2,2H3
InChIKeyHMUHFAXQTPESDQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.37
Rot. Bonds5

About 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one

3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 101202987) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID101202987
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC(C)C(CC1CCCCC1)C(=O)N1CCOC1=O
InChIInChI=1S/C16H25NO3/c1-3-12(2)14(11-13-7-5-4-6-8-13)15(18)17-9-10-20-16(17)19/h3,12-14H,1,4-11H2,2H3
InChIKeyHMUHFAXQTPESDQ-UHFFFAOYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 85213600
3-(2-Prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 101363299
3-(Bicyclo[2.2.2]oct-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 73083363
3-(3-Propylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 13634611
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
2-Oxazolidinone, 3-[(1S,2S,4S)-bicyclo[2.2.2]oct-5-en-2-ylcarbonyl]-
CID 10878710
3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11031075
3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one
CID 14174490
3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 15201179
3-[(1S,2R,5R)-2,5-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 15522338
3-[(1R,3aR,4R,7aR)-1-[(1E)-buta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbonyl]-1,3-oxazolidin-2-one
CID 15941173
3-[2-(2,2-Dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 85291110

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 101202987) is 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one is C=CC(C)C(CC1CCCCC1)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is HMUHFAXQTPESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-12(2)14(11-13-7-5-4-6-8-13)15(18)17-9-10-20-16(17)19/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101202987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).