2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate

C13H13N3O3 — CID 151219677

IUPAC2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate
SMILESCOc1cccc2c1cc(C#N)n2CCOC(N)=O
InChIInChI=1S/C13H13N3O3/c1-18-12-4-2-3-11-10(12)7-9(8-14)16(11)5-6-19-13(15)17/h2-4,7H,5-6H2,1H3,(H2,15,17)
InChIKeyNLZZSXOQDINXNC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate

2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate (PubChem CID 151219677) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate
PubChem CID151219677
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate
SMILESCOc1cccc2c1cc(C#N)n2CCOC(N)=O
InChIInChI=1S/C13H13N3O3/c1-18-12-4-2-3-11-10(12)7-9(8-14)16(11)5-6-19-13(15)17/h2-4,7H,5-6H2,1H3,(H2,15,17)
InChIKeyNLZZSXOQDINXNC-UHFFFAOYSA-N
XLogP1.62
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid
CID 135333126
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951786
4-methoxy-1-methylindol-2-ol
CID 57183322
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate
CID 175601576
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
2-(1-ethyl-4-methoxyindol-2-yl)propan-2-ol
CID 117120548
2,3-dimethoxybenzamide;hydrate
CID 141005510
1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
CID 10906011

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate?
The IUPAC name of 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate (CID 151219677) is 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate is COc1cccc2c1cc(C#N)n2CCOC(N)=O.
What is the InChIKey of 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate?
The InChIKey is NLZZSXOQDINXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-12-4-2-3-11-10(12)7-9(8-14)16(11)5-6-19-13(15)17/h2-4,7H,5-6H2,1H3,(H2,15,17).
What are the key properties of 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate?
2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate has a molecular weight of 259.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate is sourced from PubChem (CID 151219677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).