2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde

C19H21NO3 — CID 88947049

IUPAC2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde
SMILESCc1ccc2cc(CCC(=O)N3CCOCC3)ccc2c1C=O
InChIInChI=1S/C19H21NO3/c1-14-2-5-16-12-15(3-6-17(16)18(14)13-21)4-7-19(22)20-8-10-23-11-9-20/h2-3,5-6,12-13H,4,7-11H2,1H3
InChIKeySYBJJYHYGCPJPD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde

2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde (PubChem CID 88947049) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde
PubChem CID88947049
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde
SMILESCc1ccc2cc(CCC(=O)N3CCOCC3)ccc2c1C=O
InChIInChI=1S/C19H21NO3/c1-14-2-5-16-12-15(3-6-17(16)18(14)13-21)4-7-19(22)20-8-10-23-11-9-20/h2-3,5-6,12-13H,4,7-11H2,1H3
InChIKeySYBJJYHYGCPJPD-UHFFFAOYSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde (CID 88947049) is 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde is Cc1ccc2cc(CCC(=O)N3CCOCC3)ccc2c1C=O.
What is the InChIKey of 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde?
The InChIKey is SYBJJYHYGCPJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-2-5-16-12-15(3-6-17(16)18(14)13-21)4-7-19(22)20-8-10-23-11-9-20/h2-3,5-6,12-13H,4,7-11H2,1H3.
What are the key properties of 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde?
2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde has a molecular weight of 311.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).