(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide

C10H17NO — CID 100572588

IUPAC(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C10H17NO/c1-11(2)10(12)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyAURMFKZSAPFROT-XHNCKOQMSA-N
MW167.25 g/mol
LogP1.51
Rot. Bonds1

About (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 100572588) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID100572588
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C10H17NO/c1-11(2)10(12)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyAURMFKZSAPFROT-XHNCKOQMSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
CID 43409497
N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 104555749
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
N-(5-chloropentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107205733
N-methyl-N-piperidin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 60807056
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206135
(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11894734
N-methyl-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106607658
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide (CID 100572588) is (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide is CN(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AURMFKZSAPFROT-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)10(12)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 100572588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).