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

C8H12ClNO2 — CID 126971449

IUPAC2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
SMILESO=C(CCl)NCC1CCC=CO1
InChIInChI=1S/C8H12ClNO2/c9-5-8(11)10-6-7-3-1-2-4-12-7/h2,4,7H,1,3,5-6H2,(H,10,11)
InChIKeyARZBKXSSLLGBSB-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.03
Rot. Bonds3

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

2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide (PubChem CID 126971449) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
PubChem CID126971449
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
SMILESO=C(CCl)NCC1CCC=CO1
InChIInChI=1S/C8H12ClNO2/c9-5-8(11)10-6-7-3-1-2-4-12-7/h2,4,7H,1,3,5-6H2,(H,10,11)
InChIKeyARZBKXSSLLGBSB-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.03
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-(2,2-difluoroethyl)-N-[(3,4-dihydro-2H-pyran-2-yl)methyl]acetamide
CID 146094583
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
CID 102248495
2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
CID 127014973
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)acetamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide (CID 126971449) is 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide is O=C(CCl)NCC1CCC=CO1.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The InChIKey is ARZBKXSSLLGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c9-5-8(11)10-6-7-3-1-2-4-12-7/h2,4,7H,1,3,5-6H2,(H,10,11).
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide has a molecular weight of 189.64 g/mol, XLogP of 1.03, 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)acetamide is sourced from PubChem (CID 126971449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).