propane;(E)-N-propan-2-ylbut-2-enamide

C10H21NO — CID 177014610

IUPACpropane;(E)-N-propan-2-ylbut-2-enamide
SMILESC/C=C/C(=O)NC(C)C.CCC
InChIInChI=1S/C7H13NO.C3H8/c1-4-5-7(9)8-6(2)3;1-3-2/h4-6H,1-3H3,(H,8,9);3H2,1-2H3/b5-4+;
InChIKeyUEGASHLAKMDMFU-FXRZFVDSSA-N
MW171.28 g/mol
LogP2.50
Rot. Bonds2

About propane;(E)-N-propan-2-ylbut-2-enamide

propane;(E)-N-propan-2-ylbut-2-enamide (PubChem CID 177014610) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is propane;(E)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Namepropane;(E)-N-propan-2-ylbut-2-enamide
PubChem CID177014610
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namepropane;(E)-N-propan-2-ylbut-2-enamide
SMILESC/C=C/C(=O)NC(C)C.CCC
InChIInChI=1S/C7H13NO.C3H8/c1-4-5-7(9)8-6(2)3;1-3-2/h4-6H,1-3H3,(H,8,9);3H2,1-2H3/b5-4+;
InChIKeyUEGASHLAKMDMFU-FXRZFVDSSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.50
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

(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
2-[[(E)-but-2-enoyl]amino]-4-methylpentanoic acid
CID 24699814
(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
CID 81384583
sodium N-propan-2-ylprop-2-enamide
CID 19004870
(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
CID 115596720
2-[[(E)-but-2-enoyl]amino]hexanoic acid
CID 43469928
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
2-(but-2-enoylamino)-3-sulfanylpropanoic acid
CID 175605206
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226

Frequently Asked Questions

What is the IUPAC name of propane;(E)-N-propan-2-ylbut-2-enamide?
The IUPAC name of propane;(E)-N-propan-2-ylbut-2-enamide (CID 177014610) is propane;(E)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for propane;(E)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for propane;(E)-N-propan-2-ylbut-2-enamide is C/C=C/C(=O)NC(C)C.CCC.
What is the InChIKey of propane;(E)-N-propan-2-ylbut-2-enamide?
The InChIKey is UEGASHLAKMDMFU-FXRZFVDSSA-N. The full InChI is InChI=1S/C7H13NO.C3H8/c1-4-5-7(9)8-6(2)3;1-3-2/h4-6H,1-3H3,(H,8,9);3H2,1-2H3/b5-4+;.
What are the key properties of propane;(E)-N-propan-2-ylbut-2-enamide?
propane;(E)-N-propan-2-ylbut-2-enamide has a molecular weight of 171.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(E)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 177014610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).