ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol

C14H24N2O3 — CID 143039478

IUPACethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol
SMILESCC.CC(C)O.COc1cc2c(cn1)N(C=O)CC2
InChIInChI=1S/C9H10N2O2.C3H8O.C2H6/c1-13-9-4-7-2-3-11(6-12)8(7)5-10-9;1-3(2)4;1-2/h4-6H,2-3H2,1H3;3-4H,1-2H3;1-2H3
InChIKeyYVTKXKSKSVJWNB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds2

About ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol

ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol (PubChem CID 143039478) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol.

Molecular Properties

Compound Nameethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol
PubChem CID143039478
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol
SMILESCC.CC(C)O.COc1cc2c(cn1)N(C=O)CC2
InChIInChI=1S/C9H10N2O2.C3H8O.C2H6/c1-13-9-4-7-2-3-11(6-12)8(7)5-10-9;1-3(2)4;1-2/h4-6H,2-3H2,1H3;3-4H,1-2H3;1-2H3
InChIKeyYVTKXKSKSVJWNB-UHFFFAOYSA-N
XLogP2.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol?
The IUPAC name of ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol (CID 143039478) is ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol.
What is the SMILES notation for ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol?
The canonical SMILES for ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol is CC.CC(C)O.COc1cc2c(cn1)N(C=O)CC2.
What is the InChIKey of ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol?
The InChIKey is YVTKXKSKSVJWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.C3H8O.C2H6/c1-13-9-4-7-2-3-11(6-12)8(7)5-10-9;1-3(2)4;1-2/h4-6H,2-3H2,1H3;3-4H,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol?
ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol is sourced from PubChem (CID 143039478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).