N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide

C9H14ClNO2 — CID 115734116

IUPACN-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1OCCC1C
InChIInChI=1S/C9H14ClNO2/c1-6-3-4-13-8(6)9(12)11-5-7(2)10/h6,8H,2-5H2,1H3,(H,11,12)
InChIKeyNSECMLQOJOWPOH-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.28
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide

N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide (PubChem CID 115734116) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
PubChem CID115734116
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC NameN-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1OCCC1C
InChIInChI=1S/C9H14ClNO2/c1-6-3-4-13-8(6)9(12)11-5-7(2)10/h6,8H,2-5H2,1H3,(H,11,12)
InChIKeyNSECMLQOJOWPOH-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
CID 113264520
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]oxolane-2-carboxamide
CID 81425841
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide (CID 115734116) is N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide is C=C(Cl)CNC(=O)C1OCCC1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
The InChIKey is NSECMLQOJOWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-6-3-4-13-8(6)9(12)11-5-7(2)10/h6,8H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide has a molecular weight of 203.67 g/mol, XLogP of 1.28, 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-methyloxolane-2-carboxamide is sourced from PubChem (CID 115734116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).