butyl N-(3-methylpyrrolidin-3-yl)carbamate

C10H20N2O2 — CID 70984569

IUPACbutyl N-(3-methylpyrrolidin-3-yl)carbamate
SMILESCCCCOC(=O)NC1(C)CCNC1
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-9(13)12-10(2)5-6-11-8-10/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyPAEIKIYXURYUCQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds4

About butyl N-(3-methylpyrrolidin-3-yl)carbamate

butyl N-(3-methylpyrrolidin-3-yl)carbamate (PubChem CID 70984569) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl N-(3-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(3-methylpyrrolidin-3-yl)carbamate
PubChem CID70984569
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl N-(3-methylpyrrolidin-3-yl)carbamate
SMILESCCCCOC(=O)NC1(C)CCNC1
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-9(13)12-10(2)5-6-11-8-10/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyPAEIKIYXURYUCQ-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(3-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of butyl N-(3-methylpyrrolidin-3-yl)carbamate (CID 70984569) is butyl N-(3-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for butyl N-(3-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for butyl N-(3-methylpyrrolidin-3-yl)carbamate is CCCCOC(=O)NC1(C)CCNC1.
What is the InChIKey of butyl N-(3-methylpyrrolidin-3-yl)carbamate?
The InChIKey is PAEIKIYXURYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-7-14-9(13)12-10(2)5-6-11-8-10/h11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of butyl N-(3-methylpyrrolidin-3-yl)carbamate?
butyl N-(3-methylpyrrolidin-3-yl)carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 70984569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).