butyl N-methyl-N-pyrrolidin-2-ylcarbamate

C10H20N2O2 — CID 66820260

IUPACbutyl N-methyl-N-pyrrolidin-2-ylcarbamate
SMILESCCCCOC(=O)N(C)C1CCCN1
InChIInChI=1S/C10H20N2O2/c1-3-4-8-14-10(13)12(2)9-6-5-7-11-9/h9,11H,3-8H2,1-2H3
InChIKeyUUJJBJUZMQMFQL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.56
Rot. Bonds4

About butyl N-methyl-N-pyrrolidin-2-ylcarbamate

butyl N-methyl-N-pyrrolidin-2-ylcarbamate (PubChem CID 66820260) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl N-methyl-N-pyrrolidin-2-ylcarbamate.

Molecular Properties

Compound Namebutyl N-methyl-N-pyrrolidin-2-ylcarbamate
PubChem CID66820260
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl N-methyl-N-pyrrolidin-2-ylcarbamate
SMILESCCCCOC(=O)N(C)C1CCCN1
InChIInChI=1S/C10H20N2O2/c1-3-4-8-14-10(13)12(2)9-6-5-7-11-9/h9,11H,3-8H2,1-2H3
InChIKeyUUJJBJUZMQMFQL-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
butyl (2S)-piperidine-2-carboxylate
CID 54130362
butyl N,N-dicyclohexylcarbamate
CID 13416417
butyl N-cyclopropyl-N-piperidin-4-ylcarbamate
CID 90908771
heptyl pyrrolidine-2-carboxylate
CID 14777077
butyl piperidin-2-yl carbonate
CID 54057815
hexyl pyrrolidin-2-yl carbonate
CID 54505278
N-butyl-N-propylpyrrolidin-2-amine
CID 90707555
octyl (2R)-piperidine-2-carboxylate
CID 11096763
pentyl N,N-dimethylcarbamate
CID 18534522
hexyl azocane-2-carboxylate
CID 114239843
butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221

Frequently Asked Questions

What is the IUPAC name of butyl N-methyl-N-pyrrolidin-2-ylcarbamate?
The IUPAC name of butyl N-methyl-N-pyrrolidin-2-ylcarbamate (CID 66820260) is butyl N-methyl-N-pyrrolidin-2-ylcarbamate.
What is the SMILES notation for butyl N-methyl-N-pyrrolidin-2-ylcarbamate?
The canonical SMILES for butyl N-methyl-N-pyrrolidin-2-ylcarbamate is CCCCOC(=O)N(C)C1CCCN1.
What is the InChIKey of butyl N-methyl-N-pyrrolidin-2-ylcarbamate?
The InChIKey is UUJJBJUZMQMFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-8-14-10(13)12(2)9-6-5-7-11-9/h9,11H,3-8H2,1-2H3.
What are the key properties of butyl N-methyl-N-pyrrolidin-2-ylcarbamate?
butyl N-methyl-N-pyrrolidin-2-ylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-methyl-N-pyrrolidin-2-ylcarbamate is sourced from PubChem (CID 66820260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).