7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane

C15H23NO — CID 126761434

IUPAC7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane
SMILESCC12CCC3CC1C1CC(CCC1(N=O)C3)C2
InChIInChI=1S/C15H23NO/c1-14-4-2-11-6-12(14)13-7-10(8-14)3-5-15(13,9-11)16-17/h10-13H,2-9H2,1H3
InChIKeyXTQYOXSKIYVHEX-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.14
Rot. Bonds1

About 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane

7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane (PubChem CID 126761434) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane.

Molecular Properties

Compound Name7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane
PubChem CID126761434
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane
SMILESCC12CCC3CC1C1CC(CCC1(N=O)C3)C2
InChIInChI=1S/C15H23NO/c1-14-4-2-11-6-12(14)13-7-10(8-14)3-5-15(13,9-11)16-17/h10-13H,2-9H2,1H3
InChIKeyXTQYOXSKIYVHEX-UHFFFAOYSA-N
XLogP4.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,7-trimethyltricyclo[3.3.2.03,7]decane
CID 123867708
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
1-[(1S,2S)-1-methyl-2-bicyclo[2.2.1]heptanyl]-3-nitrobutan-2-ol
CID 67882697
3-bromo-9-methyltricyclo[5.3.1.04,9]undecane
CID 130305948
(1-isocyanato-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 142751751
5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one
CID 136607283
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
[(1S,5S,6R)-5-methyl-6-bicyclo[3.2.1]octanyl]-phenylmethanone
CID 101482715
(1-methyl-2-bicyclo[2.2.1]heptanyl) 2-(3-oxabicyclo[3.1.0]hexan-6-yl)prop-2-enoate
CID 59702400
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496

Frequently Asked Questions

What is the IUPAC name of 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane?
The IUPAC name of 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane (CID 126761434) is 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane.
What is the SMILES notation for 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane?
The canonical SMILES for 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane is CC12CCC3CC1C1CC(CCC1(N=O)C3)C2.
What is the InChIKey of 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane?
The InChIKey is XTQYOXSKIYVHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14-4-2-11-6-12(14)13-7-10(8-14)3-5-15(13,9-11)16-17/h10-13H,2-9H2,1H3.
What are the key properties of 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane?
7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane has a molecular weight of 233.35 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-12-nitrosotetracyclo[7.3.1.14,12.02,7]tetradecane is sourced from PubChem (CID 126761434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).