9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide

C14H21NO — CID 71205240

IUPAC9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide
SMILESCC1CC2CC1C1C3CC(C(N)=O)C(C3)C21
InChIInChI=1S/C14H21NO/c1-6-2-7-3-9(6)12-8-4-10(13(7)12)11(5-8)14(15)16/h6-13H,2-5H2,1H3,(H2,15,16)
InChIKeyYTXLYEYVIUDDPU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds1

About 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide

9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide (PubChem CID 71205240) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide.

Molecular Properties

Compound Name9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide
PubChem CID71205240
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide
SMILESCC1CC2CC1C1C3CC(C(N)=O)C(C3)C21
InChIInChI=1S/C14H21NO/c1-6-2-7-3-9(6)12-8-4-10(13(7)12)11(5-8)14(15)16/h6-13H,2-5H2,1H3,(H2,15,16)
InChIKeyYTXLYEYVIUDDPU-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
(1-ethylcyclopentyl) 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 90329150
9-methoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 139970844
methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
CID 156801086
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
bicyclo[3.1.0]hexane-2-carboxamide
CID 123217840
5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 23130233
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 93311791
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
(1R,2R,5S)-5-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 155278223
4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 123907969

Frequently Asked Questions

What is the IUPAC name of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide?
The IUPAC name of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide (CID 71205240) is 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide.
What is the SMILES notation for 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide?
The canonical SMILES for 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide is CC1CC2CC1C1C3CC(C(N)=O)C(C3)C21.
What is the InChIKey of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide?
The InChIKey is YTXLYEYVIUDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-6-2-7-3-9(6)12-8-4-10(13(7)12)11(5-8)14(15)16/h6-13H,2-5H2,1H3,(H2,15,16).
What are the key properties of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide?
9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide is sourced from PubChem (CID 71205240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).