tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate

C13H17NO3 — CID 10966474

IUPACtert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
SMILESC#CCN(Cc1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO3/c1-5-8-14(10-11-7-6-9-16-11)12(15)17-13(2,3)4/h1,6-7,9H,8,10H2,2-4H3
InChIKeyPBERMOOHNXFGQB-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate

tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate (PubChem CID 10966474) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
PubChem CID10966474
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nametert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
SMILESC#CCN(Cc1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO3/c1-5-8-14(10-11-7-6-9-16-11)12(15)17-13(2,3)4/h1,6-7,9H,8,10H2,2-4H3
InChIKeyPBERMOOHNXFGQB-UHFFFAOYSA-N
XLogP2.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
2-chloro-N-(furan-2-ylmethyl)-5-methylsulfanyl-N-prop-2-ynylbenzamide
CID 52784611
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007
N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide
CID 47468524
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
methyl 4-[furan-2-ylmethyl(prop-2-ynyl)amino]butanoate
CID 56791574
tert-butyl N-(cyanomethyl)-N-prop-2-ynylcarbamate
CID 130483940
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate
CID 177117883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate?
The IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate (CID 10966474) is tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate.
What is the SMILES notation for tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate?
The canonical SMILES for tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate is C#CCN(Cc1ccco1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate?
The InChIKey is PBERMOOHNXFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-5-8-14(10-11-7-6-9-16-11)12(15)17-13(2,3)4/h1,6-7,9H,8,10H2,2-4H3.
What are the key properties of tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate?
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate is sourced from PubChem (CID 10966474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).