(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane

C7H10BrNO — CID 98513283

IUPAC(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane
SMILESO=N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br
InChIInChI=1S/C7H10BrNO/c8-6-4-1-2-5(3-4)7(6)9-10/h4-7H,1-3H2/t4-,5-,6+,7-/m0/s1
InChIKeyMUSDPFOIXVESSK-YTLHQDLWSA-N
MW204.07 g/mol
LogP2.31
Rot. Bonds1

About (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane

(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane (PubChem CID 98513283) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane
PubChem CID98513283
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane
SMILESO=N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br
InChIInChI=1S/C7H10BrNO/c8-6-4-1-2-5(3-4)7(6)9-10/h4-7H,1-3H2/t4-,5-,6+,7-/m0/s1
InChIKeyMUSDPFOIXVESSK-YTLHQDLWSA-N
XLogP2.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane?
The IUPAC name of (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane (CID 98513283) is (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane is O=N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br.
What is the InChIKey of (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane?
The InChIKey is MUSDPFOIXVESSK-YTLHQDLWSA-N. The full InChI is InChI=1S/C7H10BrNO/c8-6-4-1-2-5(3-4)7(6)9-10/h4-7H,1-3H2/t4-,5-,6+,7-/m0/s1.
What are the key properties of (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane?
(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane has a molecular weight of 204.07 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane is sourced from PubChem (CID 98513283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).