(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide

C9H14ClNO2 — CID 131019910

IUPAC(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
SMILESC=C(Cl)CNC(=O)[C@H]1OCC[C@H]1C
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)/t6-,8+/m1/s1
InChIKeyNSECMLQOJOWPOH-SVRRBLITSA-N
MW203.67 g/mol
LogP1.28
Rot. Bonds3

About (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide

(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide (PubChem CID 131019910) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
PubChem CID131019910
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
SMILESC=C(Cl)CNC(=O)[C@H]1OCC[C@H]1C
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)/t6-,8+/m1/s1
InChIKeyNSECMLQOJOWPOH-SVRRBLITSA-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

N-(prop-2-en-1-yl)oxolane-2-carboxamide
CID 4577317
N-(2-fluoroethyl)-3-methyloxolane-2-carboxamide
CID 130709249
2-methyl-N-prop-2-enyloxolane-2-carboxamide
CID 80175985
N-(4-amino-2-ethylbutyl)oxolane-2-carboxamide
CID 80313611
3-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81424187
3-methyl-N-prop-2-enyloxolane-2-carboxamide
CID 81424666
3-methyl-N-propyloxolane-2-carboxamide
CID 81425965
N-ethyl-3-methyloxolane-2-carboxamide
CID 81425969
N-[(E)-4-chlorobut-2-enyl]-2-methyloxolane-2-carboxamide
CID 81429083
N-[(E)-4-chlorobut-2-enyl]oxolane-2-carboxamide
CID 81429493
N-(2-chloroethyl)-3-methyloxolane-2-carboxamide
CID 81575720
N-(3-chloropropyl)-3-methyloxolane-2-carboxamide
CID 81575823

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide (CID 131019910) is (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide is C=C(Cl)CNC(=O)[C@H]1OCC[C@H]1C.
What is the InChIKey of (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
The InChIKey is NSECMLQOJOWPOH-SVRRBLITSA-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)/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide?
(2S,3R)-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 (2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 131019910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).