cyanomethyl 5-methoxyindole-1-carboxylate

C12H10N2O3 — CID 141286697

IUPACcyanomethyl 5-methoxyindole-1-carboxylate
SMILESCOc1ccc2c(ccn2C(=O)OCC#N)c1
InChIInChI=1S/C12H10N2O3/c1-16-10-2-3-11-9(8-10)4-6-14(11)12(15)17-7-5-13/h2-4,6,8H,7H2,1H3
InChIKeyHSLJTSVONHMEQN-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.16
Rot. Bonds2

About cyanomethyl 5-methoxyindole-1-carboxylate

cyanomethyl 5-methoxyindole-1-carboxylate (PubChem CID 141286697) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is cyanomethyl 5-methoxyindole-1-carboxylate.

Molecular Properties

Compound Namecyanomethyl 5-methoxyindole-1-carboxylate
PubChem CID141286697
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namecyanomethyl 5-methoxyindole-1-carboxylate
SMILESCOc1ccc2c(ccn2C(=O)OCC#N)c1
InChIInChI=1S/C12H10N2O3/c1-16-10-2-3-11-9(8-10)4-6-14(11)12(15)17-7-5-13/h2-4,6,8H,7H2,1H3
InChIKeyHSLJTSVONHMEQN-UHFFFAOYSA-N
XLogP2.16
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxyindole-1-carboxylic acid
CID 68566461
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
methyl 5-cyanoindole-1-carboxylate
CID 15422551
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
N-benzyl-5-methoxyindole-1-carboxamide
CID 11055060
(4-methoxyphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]iodanium
CID 132555591
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
5-methoxy-1-prop-2-ynylindole
CID 45091362
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
5-methoxy-1-(1-phenylethenyl)indole
CID 175370512
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 5-methoxyindole-1-carboxylate?
The IUPAC name of cyanomethyl 5-methoxyindole-1-carboxylate (CID 141286697) is cyanomethyl 5-methoxyindole-1-carboxylate.
What is the SMILES notation for cyanomethyl 5-methoxyindole-1-carboxylate?
The canonical SMILES for cyanomethyl 5-methoxyindole-1-carboxylate is COc1ccc2c(ccn2C(=O)OCC#N)c1.
What is the InChIKey of cyanomethyl 5-methoxyindole-1-carboxylate?
The InChIKey is HSLJTSVONHMEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-10-2-3-11-9(8-10)4-6-14(11)12(15)17-7-5-13/h2-4,6,8H,7H2,1H3.
What are the key properties of cyanomethyl 5-methoxyindole-1-carboxylate?
cyanomethyl 5-methoxyindole-1-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 5-methoxyindole-1-carboxylate is sourced from PubChem (CID 141286697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).