methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate

C12H20N2O2 — CID 15065510

IUPACmethyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate
SMILESCOC(=O)N(C)C(C)C#CCN1CCCC1
InChIInChI=1S/C12H20N2O2/c1-11(13(2)12(15)16-3)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
InChIKeyYCAZJQKWWLIVPW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.17
Rot. Bonds2

About methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate

methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate (PubChem CID 15065510) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate
PubChem CID15065510
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate
SMILESCOC(=O)N(C)C(C)C#CCN1CCCC1
InChIInChI=1S/C12H20N2O2/c1-11(13(2)12(15)16-3)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
InChIKeyYCAZJQKWWLIVPW-UHFFFAOYSA-N
XLogP1.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate?
The IUPAC name of methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate (CID 15065510) is methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate?
The canonical SMILES for methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate is COC(=O)N(C)C(C)C#CCN1CCCC1.
What is the InChIKey of methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate?
The InChIKey is YCAZJQKWWLIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(13(2)12(15)16-3)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3.
What are the key properties of methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate?
methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate has a molecular weight of 224.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)carbamate is sourced from PubChem (CID 15065510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).