tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate

C15H20ClNO3 — CID 123810935

IUPACtert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate
SMILESC=CC=c1cc(CNC(=O)OC(C)(C)C)oc1=C(C)Cl
InChIInChI=1S/C15H20ClNO3/c1-6-7-11-8-12(19-13(11)10(2)16)9-17-14(18)20-15(3,4)5/h6-8H,1,9H2,2-5H3,(H,17,18)
InChIKeyNYTHYFAKAYMCKS-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate

tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate (PubChem CID 123810935) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate
PubChem CID123810935
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Nametert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate
SMILESC=CC=c1cc(CNC(=O)OC(C)(C)C)oc1=C(C)Cl
InChIInChI=1S/C15H20ClNO3/c1-6-7-11-8-12(19-13(11)10(2)16)9-17-14(18)20-15(3,4)5/h6-8H,1,9H2,2-5H3,(H,17,18)
InChIKeyNYTHYFAKAYMCKS-UHFFFAOYSA-N
XLogP2.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate (CID 123810935) is tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate is C=CC=c1cc(CNC(=O)OC(C)(C)C)oc1=C(C)Cl.
What is the InChIKey of tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The InChIKey is NYTHYFAKAYMCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-6-7-11-8-12(19-13(11)10(2)16)9-17-14(18)20-15(3,4)5/h6-8H,1,9H2,2-5H3,(H,17,18).
What are the key properties of tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate has a molecular weight of 297.78 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(1-chloroethylidene)-4-prop-2-enylidenefuran-2-yl]methyl]carbamate is sourced from PubChem (CID 123810935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).