2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide

C9H14ClNO2 — CID 131015392

IUPAC2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide
SMILESC=C(Cl)C(=O)NCC1CCOC1C
InChIInChI=1S/C9H14ClNO2/c1-6(10)9(12)11-5-8-3-4-13-7(8)2/h7-8H,1,3-5H2,2H3,(H,11,12)
InChIKeyGTVLPODIQLOQOY-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.28
Rot. Bonds3

About 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide

2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide (PubChem CID 131015392) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide
PubChem CID131015392
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide
SMILESC=C(Cl)C(=O)NCC1CCOC1C
InChIInChI=1S/C9H14ClNO2/c1-6(10)9(12)11-5-8-3-4-13-7(8)2/h7-8H,1,3-5H2,2H3,(H,11,12)
InChIKeyGTVLPODIQLOQOY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
CID 114105361
(1S,6R)-6-[(2-methyloxolan-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114104801
2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
CID 114105394
2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684
2,4-diamino-N-[(2-methyloxolan-3-yl)methyl]benzamide
CID 114104632
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
2-bromo-4-methyl-N-[(2-methyloxolan-3-yl)methyl]benzamide
CID 114105894
2-(4-aminopyrazol-1-yl)-N-[(2-methyloxolan-3-yl)methyl]acetamide
CID 114104631
N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
CID 114303020
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129492497
1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114106805
2-methyl-N-[(2-methyloxolan-3-yl)methyl]cyclobutan-1-amine
CID 130554494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide?
The IUPAC name of 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide (CID 131015392) is 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide is C=C(Cl)C(=O)NCC1CCOC1C.
What is the InChIKey of 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide?
The InChIKey is GTVLPODIQLOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-6(10)9(12)11-5-8-3-4-13-7(8)2/h7-8H,1,3-5H2,2H3,(H,11,12).
What are the key properties of 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide?
2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide 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 2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 131015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).