(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate

C15H25NO3 — CID 22044534

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)N2CCCC2=O)C1
InChIInChI=1S/C15H25NO3/c1-10(2)12-7-6-11(3)9-13(12)19-15(18)16-8-4-5-14(16)17/h10-13H,4-9H2,1-3H3
InChIKeyKNVPMEZIMFVWMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.21
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate (PubChem CID 22044534) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
PubChem CID22044534
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)N2CCCC2=O)C1
InChIInChI=1S/C15H25NO3/c1-10(2)12-7-6-11(3)9-13(12)19-15(18)16-8-4-5-14(16)17/h10-13H,4-9H2,1-3H3
InChIKeyKNVPMEZIMFVWMD-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S)-2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 101334587
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
CID 142844211
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxocyclopentane-1-carboxylate
CID 11300106
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate
CID 122410893

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate (CID 22044534) is (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate is CC1CCC(C(C)C)C(OC(=O)N2CCCC2=O)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate?
The InChIKey is KNVPMEZIMFVWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)12-7-6-11(3)9-13(12)19-15(18)16-8-4-5-14(16)17/h10-13H,4-9H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 22044534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).