naphthalen-2-yl N-prop-2-enylcarbamate

C14H13NO2 — CID 71396312

IUPACnaphthalen-2-yl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H13NO2/c1-2-9-15-14(16)17-13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9H2,(H,15,16)
InChIKeyBODHFJPPDOEJHR-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.11
Rot. Bonds3

About naphthalen-2-yl N-prop-2-enylcarbamate

naphthalen-2-yl N-prop-2-enylcarbamate (PubChem CID 71396312) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is naphthalen-2-yl N-prop-2-enylcarbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-prop-2-enylcarbamate
PubChem CID71396312
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namenaphthalen-2-yl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H13NO2/c1-2-9-15-14(16)17-13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9H2,(H,15,16)
InChIKeyBODHFJPPDOEJHR-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
CID 23037475
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-prop-2-enylbenzamide
CID 4932273
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
naphthalen-2-yl undec-10-enoate
CID 4206376
naphthalen-2-yl N-(phenylcarbamothioyl)carbamate
CID 21430704
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
naphthalen-2-yl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 43827357
1-phenoxy-3-prop-2-enylurea
CID 119090624
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-prop-2-enylcarbamate?
The IUPAC name of naphthalen-2-yl N-prop-2-enylcarbamate (CID 71396312) is naphthalen-2-yl N-prop-2-enylcarbamate.
What is the SMILES notation for naphthalen-2-yl N-prop-2-enylcarbamate?
The canonical SMILES for naphthalen-2-yl N-prop-2-enylcarbamate is C=CCNC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl N-prop-2-enylcarbamate?
The InChIKey is BODHFJPPDOEJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-9-15-14(16)17-13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9H2,(H,15,16).
What are the key properties of naphthalen-2-yl N-prop-2-enylcarbamate?
naphthalen-2-yl N-prop-2-enylcarbamate has a molecular weight of 227.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-prop-2-enylcarbamate is sourced from PubChem (CID 71396312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).