6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde

C16H17NO — CID 134965172

IUPAC6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde
SMILESCN(C)c1ccc2cc3c(c(C=O)c2c1)CCC3
InChIInChI=1S/C16H17NO/c1-17(2)13-7-6-12-8-11-4-3-5-14(11)16(10-18)15(12)9-13/h6-10H,3-5H2,1-2H3
InChIKeyZTUJWILLRNHVSV-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.21
Rot. Bonds2

About 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde

6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde (PubChem CID 134965172) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde
PubChem CID134965172
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde
SMILESCN(C)c1ccc2cc3c(c(C=O)c2c1)CCC3
InChIInChI=1S/C16H17NO/c1-17(2)13-7-6-12-8-11-4-3-5-14(11)16(10-18)15(12)9-13/h6-10H,3-5H2,1-2H3
InChIKeyZTUJWILLRNHVSV-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
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 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde (CID 134965172) is 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde is CN(C)c1ccc2cc3c(c(C=O)c2c1)CCC3.
What is the InChIKey of 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde?
The InChIKey is ZTUJWILLRNHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(2)13-7-6-12-8-11-4-3-5-14(11)16(10-18)15(12)9-13/h6-10H,3-5H2,1-2H3.
What are the key properties of 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde?
6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carbaldehyde is sourced from PubChem (CID 134965172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).