4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole

C16H17NO — CID 173144042

IUPAC4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole
SMILESCCOC1=C(c2cccc3ccccc23)NCC1
InChIInChI=1S/C16H17NO/c1-2-18-15-10-11-17-16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3
InChIKeyOXDHMKKHKWADPY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds3

About 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole

4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole (PubChem CID 173144042) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole
PubChem CID173144042
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole
SMILESCCOC1=C(c2cccc3ccccc23)NCC1
InChIInChI=1S/C16H17NO/c1-2-18-15-10-11-17-16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3
InChIKeyOXDHMKKHKWADPY-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole
CID 173144085
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
5-ethoxy-2-naphthalen-1-yl-1,3-thiazole
CID 57148590
lithium;1-ethoxynaphthalene;hydride
CID 174613942
ethoxyethane;phenanthrene
CID 174652079
3-ethoxy-1-naphthalen-1-ylnaphthalen-2-ol
CID 151645059
2-ethoxy-1-naphthalen-1-yl-9H-fluorene
CID 91339111

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole (CID 173144042) is 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole is CCOC1=C(c2cccc3ccccc23)NCC1.
What is the InChIKey of 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is OXDHMKKHKWADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-18-15-10-11-17-16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3.
What are the key properties of 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole?
4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 239.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 173144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).