cyclohexylmethyl pyrrolidine-1-carboxylate

C12H21NO2 — CID 85230627

IUPACcyclohexylmethyl pyrrolidine-1-carboxylate
SMILESO=C(OCC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyQRRODVDHMLRTLH-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.80
Rot. Bonds2

About cyclohexylmethyl pyrrolidine-1-carboxylate

cyclohexylmethyl pyrrolidine-1-carboxylate (PubChem CID 85230627) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclohexylmethyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl pyrrolidine-1-carboxylate
PubChem CID85230627
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclohexylmethyl pyrrolidine-1-carboxylate
SMILESO=C(OCC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyQRRODVDHMLRTLH-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexylmethyl 4-methylpiperazine-1-carboxylate
CID 71187962
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
ethyl azacycloundecane-1-carboxylate
CID 67670496
cyclohexylmethyl 4-(5-amino-3-methyl-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 139017523
cyclobutylmethyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356038
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356040
[4-[(1-hydroxypyridin-1-ium-4-yl)methoxycarbonylamino]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 66837943
fluoromethyl piperidine-1-carboxylate
CID 141168732
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl pyrrolidine-1-carboxylate?
The IUPAC name of cyclohexylmethyl pyrrolidine-1-carboxylate (CID 85230627) is cyclohexylmethyl pyrrolidine-1-carboxylate.
What is the SMILES notation for cyclohexylmethyl pyrrolidine-1-carboxylate?
The canonical SMILES for cyclohexylmethyl pyrrolidine-1-carboxylate is O=C(OCC1CCCCC1)N1CCCC1.
What is the InChIKey of cyclohexylmethyl pyrrolidine-1-carboxylate?
The InChIKey is QRRODVDHMLRTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h11H,1-10H2.
What are the key properties of cyclohexylmethyl pyrrolidine-1-carboxylate?
cyclohexylmethyl pyrrolidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 85230627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).