(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C12H19NO2 — CID 98138014

IUPAC(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C
InChIInChI=1S/C12H19NO2/c1-10(2)11(3)5-6-12(10,7-8(11)14)9(15)13-4/h5-7H2,1-4H3,(H,13,15)/t11-,12-/m1/s1
InChIKeyNSPDFRLISGBBCU-VXGBXAGGSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds1

About (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 98138014) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID98138014
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C
InChIInChI=1S/C12H19NO2/c1-10(2)11(3)5-6-12(10,7-8(11)14)9(15)13-4/h5-7H2,1-4H3,(H,13,15)/t11-,12-/m1/s1
InChIKeyNSPDFRLISGBBCU-VXGBXAGGSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332
(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6933722
(1R,4R)-N-[2-[bis[2-[[(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl]amino]ethyl]amino]ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 99662094
(1S,4S)-4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98124476
(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98161223
N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928915
4,7,7-trimethyl-3-oxo-N-(2,4,5-trichlorophenyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 4728366
4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501
(1R,4S)-N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 887118
N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594
(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 892019
4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2941915

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 98138014) is (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CNC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C.
What is the InChIKey of (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is NSPDFRLISGBBCU-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)11(3)5-6-12(10,7-8(11)14)9(15)13-4/h5-7H2,1-4H3,(H,13,15)/t11-,12-/m1/s1.
What are the key properties of (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 98138014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).