ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate

C11H15NO3 — CID 69413052

IUPACethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate
SMILESCCOC(=O)NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)12-10(13)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyRMCKOOFYQKVFHW-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.47
Rot. Bonds2

About ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate

ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate (PubChem CID 69413052) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate.

Molecular Properties

Compound Nameethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate
PubChem CID69413052
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate
SMILESCCOC(=O)NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)12-10(13)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyRMCKOOFYQKVFHW-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
ethyl 4-[[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]butanoate
CID 95358495
ethyl 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-5-methylthiophene-3-carboxylate
CID 60793972
[(2S)-1-ethoxy-1-oxopropan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101371570
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
methyl 3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxypropanoate
CID 103491118
N,N-diethoxybicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 87822883
ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate
CID 3286698
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-ethylbutanoic acid
CID 79806192
2-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]oxyethyl (1S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71023765
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
bis(ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate);tricyclo[5.2.1.02,6]decane
CID 158217531

Frequently Asked Questions

What is the IUPAC name of ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate?
The IUPAC name of ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate (CID 69413052) is ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate.
What is the SMILES notation for ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate?
The canonical SMILES for ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate is CCOC(=O)NC(=O)C1CC2C=CC1C2.
What is the InChIKey of ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate?
The InChIKey is RMCKOOFYQKVFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)12-10(13)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3,(H,12,13,14).
What are the key properties of ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate?
ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate has a molecular weight of 209.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate is sourced from PubChem (CID 69413052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).