N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide

C9H12ClNO2 — CID 130662803

IUPACN-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1CCC=CO1
InChIInChI=1S/C9H12ClNO2/c1-7(10)6-11-9(12)8-4-2-3-5-13-8/h3,5,8H,1-2,4,6H2,(H,11,12)
InChIKeyDPFREMOOXJHVOU-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.55
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide

N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 130662803) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID130662803
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC NameN-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1CCC=CO1
InChIInChI=1S/C9H12ClNO2/c1-7(10)6-11-9(12)8-4-2-3-5-13-8/h3,5,8H,1-2,4,6H2,(H,11,12)
InChIKeyDPFREMOOXJHVOU-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 126996521
N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131225571
2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
CID 126971449
N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 127012090
2-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
CID 127014973
N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130635445
N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130684849
N-(2-hydroxypropyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130694220
N-(2-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130723793
N-ethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130738609
N-butan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130747082
2-chloro-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]acetamide
CID 130820188

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide (CID 130662803) is N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide is C=C(Cl)CNC(=O)C1CCC=CO1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is DPFREMOOXJHVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-7(10)6-11-9(12)8-4-2-3-5-13-8/h3,5,8H,1-2,4,6H2,(H,11,12).
What are the key properties of N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide?
N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 201.65 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 130662803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).