(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide

C10H16N2O — CID 11116651

IUPAC(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide
SMILESCN(C)C(=O)C1=CC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C10H16N2O/c1-12(2)10(13)8-5-3-7-4-6-9(8)11-7/h5,7,9,11H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKeyOHXWQSMZRBQESX-VXNVDRBHSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds1

About (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide

(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide (PubChem CID 11116651) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide
PubChem CID11116651
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide
SMILESCN(C)C(=O)C1=CC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C10H16N2O/c1-12(2)10(13)8-5-3-7-4-6-9(8)11-7/h5,7,9,11H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKeyOHXWQSMZRBQESX-VXNVDRBHSA-N
XLogP0.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

but-2-enedioic acid;N,N-dimethyl-9-azabicyclo[4.2.1]non-2-ene-2-carboxamide
CID 53447316
1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone
CID 14565284
1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;2,2,2-trifluoroacetic acid;hydrochloride
CID 21122034
2-[(E)-1-[(6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethylideneamino]oxy-N-phosphanylacetamide
CID 153425572
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61232559
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-N,N-dimethylbenzamide;hydrochloride
CID 119989345
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide
CID 137457499
N,N-dimethyl-4-(2-methylpiperidin-4-yl)benzamide;ethane
CID 177354214
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
2-cyclopropyl-N,N-dimethylbenzamide
CID 144712792

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide?
The IUPAC name of (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide (CID 11116651) is (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide.
What is the SMILES notation for (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide?
The canonical SMILES for (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide is CN(C)C(=O)C1=CC[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide?
The InChIKey is OHXWQSMZRBQESX-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)10(13)8-5-3-7-4-6-9(8)11-7/h5,7,9,11H,3-4,6H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide?
(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide is sourced from PubChem (CID 11116651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).