N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide

C11H18N2O — CID 176715255

IUPACN'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide
SMILESC=C/N=C(\C=C)N(C)[C@@H](C)CCC=O
InChIInChI=1S/C11H18N2O/c1-5-11(12-6-2)13(4)10(3)8-7-9-14/h5-6,9-10H,1-2,7-8H2,3-4H3/b12-11+/t10-/m0/s1
InChIKeyIEZMFGZDVISIHA-IUZMTQGWSA-N
MW194.28 g/mol
LogP2.01
Rot. Bonds6

About N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide

N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide (PubChem CID 176715255) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide
PubChem CID176715255
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide
SMILESC=C/N=C(\C=C)N(C)[C@@H](C)CCC=O
InChIInChI=1S/C11H18N2O/c1-5-11(12-6-2)13(4)10(3)8-7-9-14/h5-6,9-10H,1-2,7-8H2,3-4H3/b12-11+/t10-/m0/s1
InChIKeyIEZMFGZDVISIHA-IUZMTQGWSA-N
XLogP2.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethenyl-N,N-dimethylprop-2-enimidamide
CID 143598460
N-formyl-N-(5-oxopentan-2-yl)formamide
CID 156711678
4-(ditert-butylamino)pentanal
CID 54284317
(3S)-3-methylhexanedial
CID 129384452
4,6-dimethylheptanal
CID 57105228
methane;4-methylpentanal
CID 87157049
(2Z)-N'-ethenyl-N-ethyl-N-methylpenta-2,4-dienimidamide
CID 166999090
(4S)-5-hydroxy-4-methylpentanal
CID 172722618
(4R)-5-hydroxy-4-methylpentanal
CID 130949697
(4S,5S)-4,5-dimethylhept-6-enal;(NE)-N-[(4S,5S)-4,5-dimethylhept-6-enylidene]hydroxylamine
CID 172932390
N-[(3S)-2-(dimethylamino)-6-oxohex-1-en-3-yl]acetamide
CID 167167888
triethyl(3-oxopropyl)phosphanium
CID 89178953

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide (CID 176715255) is N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide is C=C/N=C(\C=C)N(C)[C@@H](C)CCC=O.
What is the InChIKey of N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide?
The InChIKey is IEZMFGZDVISIHA-IUZMTQGWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-11(12-6-2)13(4)10(3)8-7-9-14/h5-6,9-10H,1-2,7-8H2,3-4H3/b12-11+/t10-/m0/s1.
What are the key properties of N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide?
N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide has a molecular weight of 194.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide is sourced from PubChem (CID 176715255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).