3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C8H14ClNO3 — CID 106100287

IUPAC3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCCl)NCC1(O)CCOC1
InChIInChI=1S/C8H14ClNO3/c9-3-1-7(11)10-5-8(12)2-4-13-6-8/h12H,1-6H2,(H,10,11)
InChIKeyRXWVBVUTKBLASA-UHFFFAOYSA-N
MW207.66 g/mol
LogP-0.12
Rot. Bonds4

About 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 106100287) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID106100287
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCCl)NCC1(O)CCOC1
InChIInChI=1S/C8H14ClNO3/c9-3-1-7(11)10-5-8(12)2-4-13-6-8/h12H,1-6H2,(H,10,11)
InChIKeyRXWVBVUTKBLASA-UHFFFAOYSA-N
XLogP-0.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-0.12
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

3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103848909
N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849096
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 103849291
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide
CID 103849396
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 103849400
N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849520
N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide
CID 103849552
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104759835
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 104759837
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104759841
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104759844

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 106100287) is 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(CCCl)NCC1(O)CCOC1.
What is the InChIKey of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is RXWVBVUTKBLASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3/c9-3-1-7(11)10-5-8(12)2-4-13-6-8/h12H,1-6H2,(H,10,11).
What are the key properties of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 207.66 g/mol, XLogP of -0.12, 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-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 106100287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).