3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one

C19H21NO — CID 110175440

IUPAC3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
SMILESC=CCN(CC=C)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H21NO/c1-3-13-20(14-4-2)15-12-19(21)18-11-7-9-16-8-5-6-10-17(16)18/h3-11H,1-2,12-15H2
InChIKeyBJUGYPGGQJSECQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.09
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one

3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one (PubChem CID 110175440) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
PubChem CID110175440
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
SMILESC=CCN(CC=C)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H21NO/c1-3-13-20(14-4-2)15-12-19(21)18-11-7-9-16-8-5-6-10-17(16)18/h3-11H,1-2,12-15H2
InChIKeyBJUGYPGGQJSECQ-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.09
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-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one (CID 110175440) is 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one is C=CCN(CC=C)CCC(=O)c1cccc2ccccc12.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one?
The InChIKey is BJUGYPGGQJSECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-13-20(14-4-2)15-12-19(21)18-11-7-9-16-8-5-6-10-17(16)18/h3-11H,1-2,12-15H2.
What are the key properties of 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one?
3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 110175440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).