3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

C9H16ClNO3 — CID 106100304

IUPAC3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CCCl
InChIInChI=1S/C9H16ClNO3/c1-7-9(13,3-5-14-7)6-11-8(12)2-4-10/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyMRAXVCCSGRIJEA-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.27
Rot. Bonds4

About 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (PubChem CID 106100304) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
PubChem CID106100304
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CCCl
InChIInChI=1S/C9H16ClNO3/c1-7-9(13,3-5-14-7)6-11-8(12)2-4-10/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyMRAXVCCSGRIJEA-UHFFFAOYSA-N
XLogP0.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302167
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 136538217
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 81130606
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpropanamide
CID 81130861
2-ethyl-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243046
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243047
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 104759837
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104759845
3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106100287
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106100288
3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106100291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (CID 106100304) is 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is CC1OCCC1(O)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is MRAXVCCSGRIJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO3/c1-7-9(13,3-5-14-7)6-11-8(12)2-4-10/h7,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide has a molecular weight of 221.68 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 106100304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).