2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide

C9H14ClNO2 — CID 131155558

IUPAC2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
SMILESCC(Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C9H14ClNO2/c1-5(10)9(12)11-7-4-6-2-3-8(7)13-6/h5-8H,2-4H2,1H3,(H,11,12)/t5?,6-,7-,8+/m1/s1
InChIKeyUAEUUTVCMWQFKZ-IDWMTUBTSA-N
MW203.67 g/mol
LogP1.05
Rot. Bonds2

About 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide

2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide (PubChem CID 131155558) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
PubChem CID131155558
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
SMILESCC(Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C9H14ClNO2/c1-5(10)9(12)11-7-4-6-2-3-8(7)13-6/h5-8H,2-4H2,1H3,(H,11,12)/t5?,6-,7-,8+/m1/s1
InChIKeyUAEUUTVCMWQFKZ-IDWMTUBTSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
(2S)-2-amino-3,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721257
2-carbamothioyl-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80719880
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130164935
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
CID 120992551
2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide
CID 80720993
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
CID 120562894
3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide
CID 127265877
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
The IUPAC name of 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide (CID 131155558) is 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
The canonical SMILES for 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide is CC(Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2.
What is the InChIKey of 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
The InChIKey is UAEUUTVCMWQFKZ-IDWMTUBTSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-5(10)9(12)11-7-4-6-2-3-8(7)13-6/h5-8H,2-4H2,1H3,(H,11,12)/t5?,6-,7-,8+/m1/s1.
What are the key properties of 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide has a molecular weight of 203.67 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide is sourced from PubChem (CID 131155558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).