7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde

C10H10N2O2 — CID 145081253

IUPAC7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde
SMILESCN1CC=C(C=O)c2cc[nH]c2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-5-3-7(6-13)8-2-4-11-9(8)10(12)14/h2-4,6,11H,5H2,1H3
InChIKeyWLCURKSRTPGCTN-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.68
Rot. Bonds1

About 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde

7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde (PubChem CID 145081253) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde.

Molecular Properties

Compound Name7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde
PubChem CID145081253
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde
SMILESCN1CC=C(C=O)c2cc[nH]c2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-5-3-7(6-13)8-2-4-11-9(8)10(12)14/h2-4,6,11H,5H2,1H3
InChIKeyWLCURKSRTPGCTN-UHFFFAOYSA-N
XLogP0.68
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde?
The IUPAC name of 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde (CID 145081253) is 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde.
What is the SMILES notation for 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde?
The canonical SMILES for 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde is CN1CC=C(C=O)c2cc[nH]c2C1=O.
What is the InChIKey of 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde?
The InChIKey is WLCURKSRTPGCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-5-3-7(6-13)8-2-4-11-9(8)10(12)14/h2-4,6,11H,5H2,1H3.
What are the key properties of 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde?
7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde is sourced from PubChem (CID 145081253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).