3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea

C11H18N2O — CID 24847532

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CC2C=CC1C2
InChIInChI=1S/C11H18N2O/c1-13(2)11(14)12-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3,(H,12,14)
InChIKeyKOXMIRQCGGFTLM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.47
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea

3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea (PubChem CID 24847532) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
PubChem CID24847532
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CC2C=CC1C2
InChIInChI=1S/C11H18N2O/c1-13(2)11(14)12-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3,(H,12,14)
InChIKeyKOXMIRQCGGFTLM-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.47
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

N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
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
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide
CID 98236513
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-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 99134593
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea (CID 24847532) is 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea is CN(C)C(=O)NCC1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea?
The InChIKey is KOXMIRQCGGFTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)11(14)12-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea?
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea has a molecular weight of 194.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea is sourced from PubChem (CID 24847532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).