5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one

C19H22O — CID 67993316

IUPAC5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESCCCc1cccc2c1CC1(CC3=CCC1C3)C(=O)C2
InChIInChI=1S/C19H22O/c1-2-4-14-5-3-6-15-10-18(20)19(12-17(14)15)11-13-7-8-16(19)9-13/h3,5-7,16H,2,4,8-12H2,1H3
InChIKeyRKUNNVWSWJQQJC-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.03
Rot. Bonds2

About 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one

5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one (PubChem CID 67993316) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one.

Molecular Properties

Compound Name5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
PubChem CID67993316
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESCCCc1cccc2c1CC1(CC3=CCC1C3)C(=O)C2
InChIInChI=1S/C19H22O/c1-2-4-14-5-3-6-15-10-18(20)19(12-17(14)15)11-13-7-8-16(19)9-13/h3,5-7,16H,2,4,8-12H2,1H3
InChIKeyRKUNNVWSWJQQJC-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethylspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67994222
5-butylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993930
8-(2-methylpropyl)spiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67144251
5-ethylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993819
7-aminospiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993823
5-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143952
8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123207863
8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143181
6-butylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67994170
5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 67993898
6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993801
5-butan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143164

Frequently Asked Questions

What is the IUPAC name of 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The IUPAC name of 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one (CID 67993316) is 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one.
What is the SMILES notation for 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The canonical SMILES for 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one is CCCc1cccc2c1CC1(CC3=CCC1C3)C(=O)C2.
What is the InChIKey of 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The InChIKey is RKUNNVWSWJQQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-4-14-5-3-6-15-10-18(20)19(12-17(14)15)11-13-7-8-16(19)9-13/h3,5-7,16H,2,4,8-12H2,1H3.
What are the key properties of 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one is sourced from PubChem (CID 67993316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).