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

C11H16N2O2 — CID 3286698

IUPACethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate
SMILESCCOC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)13-12-7-10-6-8-3-4-9(10)5-8/h3-4,7-10H,2,5-6H2,1H3,(H,13,14)
InChIKeyBLQSAGDYUOCICC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds3

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

ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate (PubChem CID 3286698) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate
PubChem CID3286698
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate
SMILESCCOC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)13-12-7-10-6-8-3-4-9(10)5-8/h3-4,7-10H,2,5-6H2,1H3,(H,13,14)
InChIKeyBLQSAGDYUOCICC-UHFFFAOYSA-N
XLogP1.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
CID 124764212
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-(propanoylamino)benzamide
CID 129440279
5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide
CID 100806317
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-3,4,5-trimethoxybenzamide
CID 3713434
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-hydroxybenzamide
CID 40554147
ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate
CID 69413052
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chlorobenzamide
CID 22524953
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 7310058

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate?
The IUPAC name of ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate (CID 3286698) is ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate.
What is the SMILES notation for ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate?
The canonical SMILES for ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate is CCOC(=O)NN=CC1CC2C=CC1C2.
What is the InChIKey of ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate?
The InChIKey is BLQSAGDYUOCICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-15-11(14)13-12-7-10-6-8-3-4-9(10)5-8/h3-4,7-10H,2,5-6H2,1H3,(H,13,14).
What are the key properties of ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate?
ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate is sourced from PubChem (CID 3286698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).