tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate

C16H23NO3 — CID 144770601

IUPACtert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate
SMILESC=C/C=c1/cc(CNC(=O)OC(C)(C)C)oc1=C(C)C
InChIInChI=1S/C16H23NO3/c1-7-8-12-9-13(19-14(12)11(2)3)10-17-15(18)20-16(4,5)6/h7-9H,1,10H2,2-6H3,(H,17,18)/b12-8-
InChIKeyKMOGAZUECZWHPJ-WQLSENKSSA-N
MW277.36 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate

tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate (PubChem CID 144770601) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate
PubChem CID144770601
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate
SMILESC=C/C=c1/cc(CNC(=O)OC(C)(C)C)oc1=C(C)C
InChIInChI=1S/C16H23NO3/c1-7-8-12-9-13(19-14(12)11(2)3)10-17-15(18)20-16(4,5)6/h7-9H,1,10H2,2-6H3,(H,17,18)/b12-8-
InChIKeyKMOGAZUECZWHPJ-WQLSENKSSA-N
XLogP2.46
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate (CID 144770601) is tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate is C=C/C=c1/cc(CNC(=O)OC(C)(C)C)oc1=C(C)C.
What is the InChIKey of tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The InChIKey is KMOGAZUECZWHPJ-WQLSENKSSA-N. The full InChI is InChI=1S/C16H23NO3/c1-7-8-12-9-13(19-14(12)11(2)3)10-17-15(18)20-16(4,5)6/h7-9H,1,10H2,2-6H3,(H,17,18)/b12-8-.
What are the key properties of tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate?
tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4Z)-5-propan-2-ylidene-4-prop-2-enylidenefuran-2-yl]methyl]carbamate is sourced from PubChem (CID 144770601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).