methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate

C12H22N2O2 — CID 110477693

IUPACmethyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
SMILESCOC(=O)NC1CCN(C2CCCCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)13-10-7-8-14(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyNRDVPQFSQMEHBT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds2

About methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate

methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate (PubChem CID 110477693) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
PubChem CID110477693
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
SMILESCOC(=O)NC1CCN(C2CCCCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)13-10-7-8-14(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyNRDVPQFSQMEHBT-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(methoxycarbonylamino)cyclohexyl]carbamate
CID 2980629
methyl N-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]carbamate
CID 104348436
(S)-tert-Butyl 1-cyclohexylpyrrolidin-3-ylcarbamate
CID 10516068
methyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 15729383
Methyl (1-methylpiperidin-3-yl)carbamate
CID 18715452
2-(1-Methylpyrrolidin-2-yl)ethylcarbamic acid
CID 19421755
methyl N-(4-ethylpyrrolidin-3-yl)carbamate
CID 19837183
methyl N-(1-tert-butylpyrrolidin-3-yl)carbamate
CID 21061607
methyl (3R)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 21336767
methyl N-tert-butyl-N-pyrrolidin-3-ylcarbamate
CID 22143507
1-(1-Methylpyrrolidin-2-yl)ethylcarbamic acid
CID 22275603
Methyl 3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 22707205

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate?
The IUPAC name of methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate (CID 110477693) is methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate is COC(=O)NC1CCN(C2CCCCC2)C1.
What is the InChIKey of methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate?
The InChIKey is NRDVPQFSQMEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)13-10-7-8-14(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate?
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 110477693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).