tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate

C19H27N3O2 — CID 83983745

IUPACtert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate
SMILESCCCn1cc(CNC(=O)OC(C)(C)C)c2cc3c(cc21)CNC3
InChIInChI=1S/C19H27N3O2/c1-5-6-22-12-15(11-21-18(23)24-19(2,3)4)16-7-13-9-20-10-14(13)8-17(16)22/h7-8,12,20H,5-6,9-11H2,1-4H3,(H,21,23)
InChIKeyLCJMAENWPYBDPK-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate

tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate (PubChem CID 83983745) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate
PubChem CID83983745
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate
SMILESCCCn1cc(CNC(=O)OC(C)(C)C)c2cc3c(cc21)CNC3
InChIInChI=1S/C19H27N3O2/c1-5-6-22-12-15(11-21-18(23)24-19(2,3)4)16-7-13-9-20-10-14(13)8-17(16)22/h7-8,12,20H,5-6,9-11H2,1-4H3,(H,21,23)
InChIKeyLCJMAENWPYBDPK-UHFFFAOYSA-N
XLogP3.68
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate (CID 83983745) is tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate is CCCn1cc(CNC(=O)OC(C)(C)C)c2cc3c(cc21)CNC3.
What is the InChIKey of tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate?
The InChIKey is LCJMAENWPYBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-6-22-12-15(11-21-18(23)24-19(2,3)4)16-7-13-9-20-10-14(13)8-17(16)22/h7-8,12,20H,5-6,9-11H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate?
tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate is sourced from PubChem (CID 83983745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).