4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde

C20H22N2O2 — CID 139243545

IUPAC4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde
SMILESO=Cc1ccc(N2CCCC2)c2c(N3CCCC3)ccc(C=O)c12
InChIInChI=1S/C20H22N2O2/c23-13-15-5-7-17(21-9-1-2-10-21)20-18(22-11-3-4-12-22)8-6-16(14-24)19(15)20/h5-8,13-14H,1-4,9-12H2
InChIKeyAXLVWAFPURZTRC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds4

About 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde

4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde (PubChem CID 139243545) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde.

Molecular Properties

Compound Name4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde
PubChem CID139243545
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde
SMILESO=Cc1ccc(N2CCCC2)c2c(N3CCCC3)ccc(C=O)c12
InChIInChI=1S/C20H22N2O2/c23-13-15-5-7-17(21-9-1-2-10-21)20-18(22-11-3-4-12-22)8-6-16(14-24)19(15)20/h5-8,13-14H,1-4,9-12H2
InChIKeyAXLVWAFPURZTRC-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-pyrrolidin-1-ylbenzaldehyde
CID 6500386
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
3,8-di(piperidin-1-yl)pyrene-1,6-dicarbaldehyde
CID 122385451
4-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 10607369
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
3-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 3144104
2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
CID 54490248
2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
CID 44890760
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
4-(azetidin-1-yl)-3-fluorobenzaldehyde
CID 130547544

Frequently Asked Questions

What is the IUPAC name of 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde?
The IUPAC name of 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde (CID 139243545) is 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde.
What is the SMILES notation for 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde?
The canonical SMILES for 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde is O=Cc1ccc(N2CCCC2)c2c(N3CCCC3)ccc(C=O)c12.
What is the InChIKey of 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde?
The InChIKey is AXLVWAFPURZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-13-15-5-7-17(21-9-1-2-10-21)20-18(22-11-3-4-12-22)8-6-16(14-24)19(15)20/h5-8,13-14H,1-4,9-12H2.
What are the key properties of 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde?
4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde has a molecular weight of 322.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde is sourced from PubChem (CID 139243545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).