(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one

C17H17NO — CID 15666446

IUPAC(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](C)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C17H17NO/c1-3-11-18-16(12(2)17(18)19)15-10-6-8-13-7-4-5-9-14(13)15/h3-10,12,16H,1,11H2,2H3/t12-,16+/m1/s1
InChIKeyZZIHQUHPZRRSAI-WBMJQRKESA-N
MW251.33 g/mol
LogP3.55
Rot. Bonds3

About (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one

(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one (PubChem CID 15666446) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one
PubChem CID15666446
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](C)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C17H17NO/c1-3-11-18-16(12(2)17(18)19)15-10-6-8-13-7-4-5-9-14(13)15/h3-10,12,16H,1,11H2,2H3/t12-,16+/m1/s1
InChIKeyZZIHQUHPZRRSAI-WBMJQRKESA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one (CID 15666446) is (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](C)[C@H]1c1cccc2ccccc12.
What is the InChIKey of (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one?
The InChIKey is ZZIHQUHPZRRSAI-WBMJQRKESA-N. The full InChI is InChI=1S/C17H17NO/c1-3-11-18-16(12(2)17(18)19)15-10-6-8-13-7-4-5-9-14(13)15/h3-10,12,16H,1,11H2,2H3/t12-,16+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one?
(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 15666446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).