tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate

C19H22N2O4 — CID 71484755

IUPACtert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate
SMILESCc1cc(=O)oc2ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c3c12
InChIInChI=1S/C19H22N2O4/c1-11-9-15(22)24-14-6-5-13-17(16(11)14)12(10-21-13)7-8-20-18(23)25-19(2,3)4/h5-6,9-10,21H,7-8H2,1-4H3,(H,20,23)
InChIKeyWYEZPAZAQNYVCI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate

tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate (PubChem CID 71484755) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate
PubChem CID71484755
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nametert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate
SMILESCc1cc(=O)oc2ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c3c12
InChIInChI=1S/C19H22N2O4/c1-11-9-15(22)24-14-6-5-13-17(16(11)14)12(10-21-13)7-8-20-18(23)25-19(2,3)4/h5-6,9-10,21H,7-8H2,1-4H3,(H,20,23)
InChIKeyWYEZPAZAQNYVCI-UHFFFAOYSA-N
XLogP3.65
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
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tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
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tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
(6-chloro-4-methyl-2-oxochromen-7-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate (CID 71484755) is tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate is Cc1cc(=O)oc2ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c3c12.
What is the InChIKey of tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate?
The InChIKey is WYEZPAZAQNYVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11-9-15(22)24-14-6-5-13-17(16(11)14)12(10-21-13)7-8-20-18(23)25-19(2,3)4/h5-6,9-10,21H,7-8H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate is sourced from PubChem (CID 71484755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).