N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide

C12H19NO — CID 59748299

IUPACN-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide
SMILESCCNC(=O)CC1C2C=CC(C2)C1C
InChIInChI=1S/C12H19NO/c1-3-13-12(14)7-11-8(2)9-4-5-10(11)6-9/h4-5,8-11H,3,6-7H2,1-2H3,(H,13,14)
InChIKeySECRUQYQGJDVDZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.97
Rot. Bonds3

About N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide

N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide (PubChem CID 59748299) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide
PubChem CID59748299
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide
SMILESCCNC(=O)CC1C2C=CC(C2)C1C
InChIInChI=1S/C12H19NO/c1-3-13-12(14)7-11-8(2)9-4-5-10(11)6-9/h4-5,8-11H,3,6-7H2,1-2H3,(H,13,14)
InChIKeySECRUQYQGJDVDZ-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Norbornene-2,3-dicarboxamide, N,N'-diethyl-, trans-
CID 99857
(1R,2R,3S,6R)-2-[(E)-hept-1-enyl]-1-N,3-N-bis(2-methylpropyl)-6-pentylcyclohex-4-ene-1,3-dicarboxamide
CID 53243799
1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
5-Norbornene-2,3-dicarboxamide, N,N,N'-triethyl-, trans-
CID 3046205
5-Norbornene-2,3-diacetamide, N,N'-di-tert-butyl-
CID 3063913
N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60965883
N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 62268447
(1S,2R,3R,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134980056
(1S,2S,3S,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134980057
N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3438395
2-[(1S*,2S*,4S*)-bicyclo[2.2.1]hept-5-en-2-yl]-N-{2-[methyl(methylsulfonyl)amino]ethyl}acetamide
CID 56754341
N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide (CID 59748299) is N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide is CCNC(=O)CC1C2C=CC(C2)C1C.
What is the InChIKey of N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide?
The InChIKey is SECRUQYQGJDVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13-12(14)7-11-8(2)9-4-5-10(11)6-9/h4-5,8-11H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide?
N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide has a molecular weight of 193.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetamide is sourced from PubChem (CID 59748299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).