4-methyl-2H-isoindole-1-carboxamide

C10H10N2O — CID 143141479

IUPAC4-methyl-2H-isoindole-1-carboxamide
SMILESCc1cccc2c(C(N)=O)[nH]cc12
InChIInChI=1S/C10H10N2O/c1-6-3-2-4-7-8(6)5-12-9(7)10(11)13/h2-5,12H,1H3,(H2,11,13)
InChIKeyKUNUKKAMQTWOLH-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.58
Rot. Bonds1

About 4-methyl-2H-isoindole-1-carboxamide

4-methyl-2H-isoindole-1-carboxamide (PubChem CID 143141479) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methyl-2H-isoindole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-2H-isoindole-1-carboxamide
PubChem CID143141479
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-methyl-2H-isoindole-1-carboxamide
SMILESCc1cccc2c(C(N)=O)[nH]cc12
InChIInChI=1S/C10H10N2O/c1-6-3-2-4-7-8(6)5-12-9(7)10(11)13/h2-5,12H,1H3,(H2,11,13)
InChIKeyKUNUKKAMQTWOLH-UHFFFAOYSA-N
XLogP1.58
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-isoindole-1-carboxamide?
The IUPAC name of 4-methyl-2H-isoindole-1-carboxamide (CID 143141479) is 4-methyl-2H-isoindole-1-carboxamide.
What is the SMILES notation for 4-methyl-2H-isoindole-1-carboxamide?
The canonical SMILES for 4-methyl-2H-isoindole-1-carboxamide is Cc1cccc2c(C(N)=O)[nH]cc12.
What is the InChIKey of 4-methyl-2H-isoindole-1-carboxamide?
The InChIKey is KUNUKKAMQTWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-3-2-4-7-8(6)5-12-9(7)10(11)13/h2-5,12H,1H3,(H2,11,13).
What are the key properties of 4-methyl-2H-isoindole-1-carboxamide?
4-methyl-2H-isoindole-1-carboxamide has a molecular weight of 174.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-isoindole-1-carboxamide is sourced from PubChem (CID 143141479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).