(2R)-2-methyl-N-prop-2-enylbutanamide

C8H15NO — CID 55303611

IUPAC(2R)-2-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@H](C)CC
InChIInChI=1S/C8H15NO/c1-4-6-9-8(10)7(3)5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)/t7-/m1/s1
InChIKeyGVVFYKIGWUPNFN-SSDOTTSWSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds4

About (2R)-2-methyl-N-prop-2-enylbutanamide

(2R)-2-methyl-N-prop-2-enylbutanamide (PubChem CID 55303611) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R)-2-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-prop-2-enylbutanamide
PubChem CID55303611
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R)-2-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@H](C)CC
InChIInChI=1S/C8H15NO/c1-4-6-9-8(10)7(3)5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)/t7-/m1/s1
InChIKeyGVVFYKIGWUPNFN-SSDOTTSWSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-enylbutanamide
CID 20811204
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 90762380
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
tert-butyl (3S)-3-methyl-4-oxo-4-(prop-2-enylamino)butanoate
CID 11746358
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-prop-2-enylbutanamide?
The IUPAC name of (2R)-2-methyl-N-prop-2-enylbutanamide (CID 55303611) is (2R)-2-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for (2R)-2-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for (2R)-2-methyl-N-prop-2-enylbutanamide is C=CCNC(=O)[C@H](C)CC.
What is the InChIKey of (2R)-2-methyl-N-prop-2-enylbutanamide?
The InChIKey is GVVFYKIGWUPNFN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-9-8(10)7(3)5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-N-prop-2-enylbutanamide?
(2R)-2-methyl-N-prop-2-enylbutanamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 55303611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).