(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride

C10H14ClNO — CID 87078055

IUPAC(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
SMILESO=C(Cl)[C@]12CC[C@H](CN1C1CC1)C2
InChIInChI=1S/C10H14ClNO/c11-9(13)10-4-3-7(5-10)6-12(10)8-1-2-8/h7-8H,1-6H2/t7-,10+/m0/s1
InChIKeyDZXAJXDTALFXGM-OIBJUYFYSA-N
MW199.68 g/mol
LogP1.77
Rot. Bonds2

About (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride

(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride (PubChem CID 87078055) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride.

Molecular Properties

Compound Name(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
PubChem CID87078055
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
SMILESO=C(Cl)[C@]12CC[C@H](CN1C1CC1)C2
InChIInChI=1S/C10H14ClNO/c11-9(13)10-4-3-7(5-10)6-12(10)8-1-2-8/h7-8H,1-6H2/t7-,10+/m0/s1
InChIKeyDZXAJXDTALFXGM-OIBJUYFYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
The IUPAC name of (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride (CID 87078055) is (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride.
What is the SMILES notation for (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
The canonical SMILES for (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride is O=C(Cl)[C@]12CC[C@H](CN1C1CC1)C2.
What is the InChIKey of (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
The InChIKey is DZXAJXDTALFXGM-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-9(13)10-4-3-7(5-10)6-12(10)8-1-2-8/h7-8H,1-6H2/t7-,10+/m0/s1.
What are the key properties of (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride?
(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride has a molecular weight of 199.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride is sourced from PubChem (CID 87078055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).