tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate

C15H24N2O3 — CID 91445252

IUPACtert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate
SMILESC=C1C[C@@H]2CC(N=O)C[C@H](C1)C2NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-9-5-10-7-12(17-19)8-11(6-9)13(10)16-14(18)20-15(2,3)4/h10-13H,1,5-8H2,2-4H3,(H,16,18)/t10-,11+,12?,13?
InChIKeyLRBNRUIPXSHMSU-MPEURRAXSA-N
MW280.37 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate

tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate (PubChem CID 91445252) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate
PubChem CID91445252
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate
SMILESC=C1C[C@@H]2CC(N=O)C[C@H](C1)C2NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-9-5-10-7-12(17-19)8-11(6-9)13(10)16-14(18)20-15(2,3)4/h10-13H,1,5-8H2,2-4H3,(H,16,18)/t10-,11+,12?,13?
InChIKeyLRBNRUIPXSHMSU-MPEURRAXSA-N
XLogP3.39
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate with MolForge

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Related Compounds

tert-butyl 5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 19955570
tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-yl)carbamate;oxalic acid
CID 75525774
trans-methyl (1S,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 124527040
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]hept-3-enyl]carbamate
CID 124748419
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid
CID 66863401
tert-butyl N-[(1S,4R,7S)-2-oxo-7-bicyclo[2.2.1]heptanyl]carbamate
CID 99995947
tert-butyl N-[(1S,2R,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 178199914
tert-butyl N-[(1S,5R)-3-cyano-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 138693921
tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 117273576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate (CID 91445252) is tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate is C=C1C[C@@H]2CC(N=O)C[C@H](C1)C2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate?
The InChIKey is LRBNRUIPXSHMSU-MPEURRAXSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-5-10-7-12(17-19)8-11(6-9)13(10)16-14(18)20-15(2,3)4/h10-13H,1,5-8H2,2-4H3,(H,16,18)/t10-,11+,12?,13?.
What are the key properties of tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate?
tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate is sourced from PubChem (CID 91445252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).