6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde

C16H15NO2 — CID 102088801

IUPAC6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1ccc2c(c1)CCC(C=O)=C2n1cccc1
InChIInChI=1S/C16H15NO2/c1-19-14-6-7-15-12(10-14)4-5-13(11-18)16(15)17-8-2-3-9-17/h2-3,6-11H,4-5H2,1H3
InChIKeyUVVZDYGXNGVSPN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.90
Rot. Bonds3

About 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde

6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 102088801) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID102088801
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1ccc2c(c1)CCC(C=O)=C2n1cccc1
InChIInChI=1S/C16H15NO2/c1-19-14-6-7-15-12(10-14)4-5-13(11-18)16(15)17-8-2-3-9-17/h2-3,6-11H,4-5H2,1H3
InChIKeyUVVZDYGXNGVSPN-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 71817023
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
6-[3-(2-fluorophenyl)propoxy]-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 174496601
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
7-methoxy-1-[2-(4-methylphenyl)ethynyl]-3,4-dihydronaphthalene-2-carbaldehyde
CID 46186555
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde (CID 102088801) is 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde is COc1ccc2c(c1)CCC(C=O)=C2n1cccc1.
What is the InChIKey of 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is UVVZDYGXNGVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-14-6-7-15-12(10-14)4-5-13(11-18)16(15)17-8-2-3-9-17/h2-3,6-11H,4-5H2,1H3.
What are the key properties of 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde?
6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 253.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 102088801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).