(2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate

C14H21NO2 — CID 91485867

IUPAC(2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate
SMILESCNC(=O)OC1CC2CC3(C)C4(C)CC1(C)C234
InChIInChI=1S/C14H21NO2/c1-11-7-13(3)12(2)6-8(14(11,12)13)5-9(11)17-10(16)15-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJDDXZZBZJKTNNS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.56
Rot. Bonds1

About (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate

(2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate (PubChem CID 91485867) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate
PubChem CID91485867
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate
SMILESCNC(=O)OC1CC2CC3(C)C4(C)CC1(C)C234
InChIInChI=1S/C14H21NO2/c1-11-7-13(3)12(2)6-8(14(11,12)13)5-9(11)17-10(16)15-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJDDXZZBZJKTNNS-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2.4]heptan-2-yl N-methylcarbamate
CID 154437026
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]carbamate
CID 10453143
(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
CID 130533515
(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate
CID 118330233
spiro[2.4]heptan-6-yl N-methylcarbamate
CID 118332601
2-methoxy-N,1-dimethylcyclopropane-1-carboxamide
CID 122703349
cyclopentyl N-methylcarbamate
CID 23548767
(3,3-difluorocyclopentyl) N-methylcarbamate
CID 118332585
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
CID 524259
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273

Frequently Asked Questions

What is the IUPAC name of (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate?
The IUPAC name of (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate (CID 91485867) is (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate.
What is the SMILES notation for (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate?
The canonical SMILES for (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate is CNC(=O)OC1CC2CC3(C)C4(C)CC1(C)C234.
What is the InChIKey of (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate?
The InChIKey is JDDXZZBZJKTNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-7-13(3)12(2)6-8(14(11,12)13)5-9(11)17-10(16)15-4/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate?
(2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,9-trimethyl-5-tetracyclo[5.2.0.01,4.02,9]nonanyl) N-methylcarbamate is sourced from PubChem (CID 91485867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).