ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate

C11H17NO3 — CID 23543652

IUPACethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCCOC(=O)NC1C2CCC(C2)C1C=O
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)12-10-8-4-3-7(5-8)9(10)6-13/h6-10H,2-5H2,1H3,(H,12,14)
InChIKeyBMLVMMVUVXGMSD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.35
Rot. Bonds3

About ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate

ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate (PubChem CID 23543652) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
PubChem CID23543652
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCCOC(=O)NC1C2CCC(C2)C1C=O
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)12-10-8-4-3-7(5-8)9(10)6-13/h6-10H,2-5H2,1H3,(H,12,14)
InChIKeyBMLVMMVUVXGMSD-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(1S,2S,3S,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 91390552
tert-butyl N-[(1S,2R,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 178199914
ethyl N-[3-(hydroxymethyl)-2-bicyclo[2.2.2]oct-5-enyl]carbamate
CID 12792764
ethyl N-[(1S,2S,3R,4R)-3-(1H-indol-3-yl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 15656668
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
bicyclo[2.2.1]heptane-2,3-dicarbaldehyde
CID 13411221
tert-butyl N-[(1S,2S,3S,4R)-3-(2-oxoethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 90942911
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 171422180

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate?
The IUPAC name of ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate (CID 23543652) is ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate.
What is the SMILES notation for ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate?
The canonical SMILES for ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate is CCOC(=O)NC1C2CCC(C2)C1C=O.
What is the InChIKey of ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate?
The InChIKey is BMLVMMVUVXGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-15-11(14)12-10-8-4-3-7(5-8)9(10)6-13/h6-10H,2-5H2,1H3,(H,12,14).
What are the key properties of ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate?
ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate is sourced from PubChem (CID 23543652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).