[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate

C17H16O2 — CID 67366945

IUPAC[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
SMILESC=CC[C@@H](OC(=O)C=C)c1ccc2ccccc2c1
InChIInChI=1S/C17H16O2/c1-3-7-16(19-17(18)4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3-6,8-12,16H,1-2,7H2/t16-/m1/s1
InChIKeyCVQMWKMRBMLKQT-MRXNPFEDSA-N
MW252.31 g/mol
LogP4.19
Rot. Bonds5

About [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate

[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate (PubChem CID 67366945) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
PubChem CID67366945
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
SMILESC=CC[C@@H](OC(=O)C=C)c1ccc2ccccc2c1
InChIInChI=1S/C17H16O2/c1-3-7-16(19-17(18)4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3-6,8-12,16H,1-2,7H2/t16-/m1/s1
InChIKeyCVQMWKMRBMLKQT-MRXNPFEDSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
[bromo(naphthalen-2-yl)methyl] prop-2-enoate
CID 134562341
[(1R,2S,3S)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
CID 135009042
[(1S,2R,3R)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
CID 134855892
(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate
CID 101472479
1-phenylbut-3-enyl carbamate
CID 126509930
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
2-naphthalen-2-yl-N'-propan-2-ylpent-4-enehydrazide
CID 165339340

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate?
The IUPAC name of [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate (CID 67366945) is [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate.
What is the SMILES notation for [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate?
The canonical SMILES for [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate is C=CC[C@@H](OC(=O)C=C)c1ccc2ccccc2c1.
What is the InChIKey of [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate?
The InChIKey is CVQMWKMRBMLKQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-7-16(19-17(18)4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3-6,8-12,16H,1-2,7H2/t16-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate?
[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate is sourced from PubChem (CID 67366945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).