3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one

C14H23NO2 — CID 14365458

IUPAC3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one
SMILESCC(N=O)C(=O)CC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H23NO2/c1-9(15-17)11(16)7-12-13(2,3)10-5-6-14(12,4)8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyXNETXIPPSIFRFP-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.56
Rot. Bonds4

About 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one

3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one (PubChem CID 14365458) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one.

Molecular Properties

Compound Name3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one
PubChem CID14365458
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one
SMILESCC(N=O)C(=O)CC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H23NO2/c1-9(15-17)11(16)7-12-13(2,3)10-5-6-14(12,4)8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyXNETXIPPSIFRFP-UHFFFAOYSA-N
XLogP3.56
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 14365455
1,3,3-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane
CID 173187277
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 115401436
(3S)-3-amino-4-[[3-hydroxy-2-methyl-4-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-yl]amino]-4-oxobutanoic acid
CID 70468662
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-chloropropanoate
CID 14518144
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
1-chloroethyl (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 86119234
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
(3S)-3-amino-4-[[2-methyl-4-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-yl]amino]-4-oxobutanoic acid
CID 18603753
2-methyl-5-propan-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
CID 83259478
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one?
The IUPAC name of 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one (CID 14365458) is 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one.
What is the SMILES notation for 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one?
The canonical SMILES for 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one is CC(N=O)C(=O)CC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one?
The InChIKey is XNETXIPPSIFRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(15-17)11(16)7-12-13(2,3)10-5-6-14(12,4)8-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one?
3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one has a molecular weight of 237.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one is sourced from PubChem (CID 14365458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).