2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide

C9H14ClNO2 — CID 127014973

IUPAC2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCC1CCC=CO1
InChIInChI=1S/C9H14ClNO2/c1-7(10)9(12)11-6-8-4-2-3-5-13-8/h3,5,7-8H,2,4,6H2,1H3,(H,11,12)
InChIKeyQCCBWKXIIBZTFN-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.42
Rot. Bonds3

About 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide

2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide (PubChem CID 127014973) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
PubChem CID127014973
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCC1CCC=CO1
InChIInChI=1S/C9H14ClNO2/c1-7(10)9(12)11-6-8-4-2-3-5-13-8/h3,5,7-8H,2,4,6H2,1H3,(H,11,12)
InChIKeyQCCBWKXIIBZTFN-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.42
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-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
CID 126971449
N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130662803
2-chloro-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]acetamide
CID 130820188
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]acetamide
CID 131098121
2-chloro-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]acetamide
CID 131165767
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
CID 131177292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide (CID 127014973) is 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide is CC(Cl)C(=O)NCC1CCC=CO1.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
The InChIKey is QCCBWKXIIBZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-7(10)9(12)11-6-8-4-2-3-5-13-8/h3,5,7-8H,2,4,6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide has a molecular weight of 203.67 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide is sourced from PubChem (CID 127014973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).