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

C10H15NO — CID 130645148

IUPACN-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CC2C=CC1C2
InChIInChI=1S/C10H15NO/c1-7(12)11-6-10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-6H2,1H3,(H,11,12)/t8?,9?,10-/m0/s1
InChIKeyRSQJHBHGQMRDHX-RTBKNWGFSA-N
MW165.24 g/mol
LogP1.33
Rot. Bonds2

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

N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide (PubChem CID 130645148) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
PubChem CID130645148
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CC2C=CC1C2
InChIInChI=1S/C10H15NO/c1-7(12)11-6-10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-6H2,1H3,(H,11,12)/t8?,9?,10-/m0/s1
InChIKeyRSQJHBHGQMRDHX-RTBKNWGFSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.33
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

3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
CID 24847532
1-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[6-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylamino]hexyl]urea
CID 11835105
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylbenzamide
CID 98819419
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide
CID 124926213
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;chloromethane
CID 160966528
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 99134593

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide?
The IUPAC name of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide (CID 130645148) is N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide is CC(=O)NC[C@@H]1CC2C=CC1C2.
What is the InChIKey of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide?
The InChIKey is RSQJHBHGQMRDHX-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)11-6-10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-6H2,1H3,(H,11,12)/t8?,9?,10-/m0/s1.
What are the key properties of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide?
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide is sourced from PubChem (CID 130645148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).