1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate

C16H15NO2 — CID 140556231

IUPAC1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate
SMILESC#CCNC(=O)OC(C)c1cccc2ccccc12
InChIInChI=1S/C16H15NO2/c1-3-11-17-16(18)19-12(2)14-10-6-8-13-7-4-5-9-15(13)14/h1,4-10,12H,11H2,2H3,(H,17,18)
InChIKeySYAWMUHYOMIKQN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.26
Rot. Bonds3

About 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate

1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate (PubChem CID 140556231) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate.

Molecular Properties

Compound Name1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate
PubChem CID140556231
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate
SMILESC#CCNC(=O)OC(C)c1cccc2ccccc12
InChIInChI=1S/C16H15NO2/c1-3-11-17-16(18)19-12(2)14-10-6-8-13-7-4-5-9-15(13)14/h1,4-10,12H,11H2,2H3,(H,17,18)
InChIKeySYAWMUHYOMIKQN-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
1-naphthalen-1-ylethyl carbamate
CID 14959373
1-O-methyl 5-O-[(1R)-1-naphthalen-1-ylethyl] (3S)-3-phenylpentanedioate
CID 100987751
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate?
The IUPAC name of 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate (CID 140556231) is 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate.
What is the SMILES notation for 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate?
The canonical SMILES for 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate is C#CCNC(=O)OC(C)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate?
The InChIKey is SYAWMUHYOMIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-11-17-16(18)19-12(2)14-10-6-8-13-7-4-5-9-15(13)14/h1,4-10,12H,11H2,2H3,(H,17,18).
What are the key properties of 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate?
1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate is sourced from PubChem (CID 140556231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).