3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one

C22H23NO — CID 44817397

IUPAC3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one
SMILESC=CCN(C1CCCc2ccccc21)C1CC(=O)c2ccccc21
InChIInChI=1S/C22H23NO/c1-2-14-23(20-13-7-9-16-8-3-4-10-17(16)20)21-15-22(24)19-12-6-5-11-18(19)21/h2-6,8,10-12,20-21H,1,7,9,13-15H2
InChIKeyYYCGRDHNYBHNQY-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.88
Rot. Bonds4

About 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one

3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one (PubChem CID 44817397) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one
PubChem CID44817397
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one
SMILESC=CCN(C1CCCc2ccccc21)C1CC(=O)c2ccccc21
InChIInChI=1S/C22H23NO/c1-2-14-23(20-13-7-9-16-8-3-4-10-17(16)20)21-15-22(24)19-12-6-5-11-18(19)21/h2-6,8,10-12,20-21H,1,7,9,13-15H2
InChIKeyYYCGRDHNYBHNQY-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one?
The IUPAC name of 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one (CID 44817397) is 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one?
The canonical SMILES for 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one is C=CCN(C1CCCc2ccccc21)C1CC(=O)c2ccccc21.
What is the InChIKey of 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one?
The InChIKey is YYCGRDHNYBHNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-14-23(20-13-7-9-16-8-3-4-10-17(16)20)21-15-22(24)19-12-6-5-11-18(19)21/h2-6,8,10-12,20-21H,1,7,9,13-15H2.
What are the key properties of 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one?
3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one has a molecular weight of 317.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one is sourced from PubChem (CID 44817397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).