(E)-N-[(2R)-butan-2-yl]but-2-enamide

C8H15NO — CID 55299648

IUPAC(E)-N-[(2R)-butan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)N[C@H](C)CC
InChIInChI=1S/C8H15NO/c1-4-6-8(10)9-7(3)5-2/h4,6-7H,5H2,1-3H3,(H,9,10)/b6-4+/t7-/m1/s1
InChIKeyGJVULYAMMGGVSM-PTYLAXBQSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About (E)-N-[(2R)-butan-2-yl]but-2-enamide

(E)-N-[(2R)-butan-2-yl]but-2-enamide (PubChem CID 55299648) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-N-[(2R)-butan-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-butan-2-yl]but-2-enamide
PubChem CID55299648
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-N-[(2R)-butan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)N[C@H](C)CC
InChIInChI=1S/C8H15NO/c1-4-6-8(10)9-7(3)5-2/h4,6-7H,5H2,1-3H3,(H,9,10)/b6-4+/t7-/m1/s1
InChIKeyGJVULYAMMGGVSM-PTYLAXBQSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-ylhexa-2,4-dienamide
CID 76545623
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
CID 87311086
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
sodium;N-butan-2-ylprop-2-enamide;hydrogen sulfate
CID 23683370
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(2E)-N-heptan-2-ylhexa-2,4-dienamide
CID 78841357
2-[[(E)-but-2-enoyl]amino]-4-methylpentanoic acid
CID 24699814
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-butan-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[(2R)-butan-2-yl]but-2-enamide (CID 55299648) is (E)-N-[(2R)-butan-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-butan-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[(2R)-butan-2-yl]but-2-enamide is C/C=C/C(=O)N[C@H](C)CC.
What is the InChIKey of (E)-N-[(2R)-butan-2-yl]but-2-enamide?
The InChIKey is GJVULYAMMGGVSM-PTYLAXBQSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(10)9-7(3)5-2/h4,6-7H,5H2,1-3H3,(H,9,10)/b6-4+/t7-/m1/s1.
What are the key properties of (E)-N-[(2R)-butan-2-yl]but-2-enamide?
(E)-N-[(2R)-butan-2-yl]but-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-butan-2-yl]but-2-enamide is sourced from PubChem (CID 55299648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).