[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate

C19H23N3O4 — CID 68916545

IUPAC[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate
SMILESCCc1c(C)c(C(C)(OC(N)=O)OC(=O)NC)c2n1-c1ccccc1C2
InChIInChI=1S/C19H23N3O4/c1-5-13-11(2)16(19(3,25-17(20)23)26-18(24)21-4)15-10-12-8-6-7-9-14(12)22(13)15/h6-9H,5,10H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyROEUFLPFSVTSDX-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.88
Rot. Bonds4

About [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate

[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate (PubChem CID 68916545) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate
PubChem CID68916545
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate
SMILESCCc1c(C)c(C(C)(OC(N)=O)OC(=O)NC)c2n1-c1ccccc1C2
InChIInChI=1S/C19H23N3O4/c1-5-13-11(2)16(19(3,25-17(20)23)26-18(24)21-4)15-10-12-8-6-7-9-14(12)22(13)15/h6-9H,5,10H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyROEUFLPFSVTSDX-UHFFFAOYSA-N
XLogP2.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate
CID 123620252
[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
CID 123526673
[1-(3,4-dimethoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
CID 42600611
[1-(4-methoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-ethylcarbamate
CID 123203308
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
2-phenylpropan-2-yl carbamate;propane
CID 175117543
3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate
CID 123623723
2,3-dihydroindole-1-carbothioic S-acid;propanamide
CID 87347076
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methyl-4H-quinolin-3-yl)propanoate
CID 15021161
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate?
The IUPAC name of [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate (CID 68916545) is [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate.
What is the SMILES notation for [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate?
The canonical SMILES for [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate is CCc1c(C)c(C(C)(OC(N)=O)OC(=O)NC)c2n1-c1ccccc1C2.
What is the InChIKey of [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate?
The InChIKey is ROEUFLPFSVTSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-5-13-11(2)16(19(3,25-17(20)23)26-18(24)21-4)15-10-12-8-6-7-9-14(12)22(13)15/h6-9H,5,10H2,1-4H3,(H2,20,23)(H,21,24).
What are the key properties of [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate?
[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate has a molecular weight of 357.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate is sourced from PubChem (CID 68916545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).