N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide

C10H19NO — CID 146429738

IUPACN-[(E)-2,3,3-trimethylbut-1-enyl]propanamide
SMILESCCC(=O)N/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-9(12)11-7-8(2)10(3,4)5/h7H,6H2,1-5H3,(H,11,12)/b8-7+
InChIKeyPIYNNFSXJSIDNB-BQYQJAHWSA-N
MW169.27 g/mol
LogP2.46
Rot. Bonds2

About N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide

N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide (PubChem CID 146429738) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide.

Molecular Properties

Compound NameN-[(E)-2,3,3-trimethylbut-1-enyl]propanamide
PubChem CID146429738
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(E)-2,3,3-trimethylbut-1-enyl]propanamide
SMILESCCC(=O)N/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-9(12)11-7-8(2)10(3,4)5/h7H,6H2,1-5H3,(H,11,12)/b8-7+
InChIKeyPIYNNFSXJSIDNB-BQYQJAHWSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915237
(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
CID 129167754
2-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoylamino]propanoic acid
CID 108914996
ethyl 3-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoylamino]propanoate
CID 108915240
1-pyrimidin-2-yl-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915067
1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914983
ethyl 1-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylate
CID 108914959
N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide
CID 154957249
1-(1-adamantyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915181
N-[2-methyl-1-[2-methyl-2-(propanoylamino)propoxy]silyloxypropan-2-yl]propanamide
CID 123586830
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide?
The IUPAC name of N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide (CID 146429738) is N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide.
What is the SMILES notation for N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide?
The canonical SMILES for N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide is CCC(=O)N/C=C(\C)C(C)(C)C.
What is the InChIKey of N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide?
The InChIKey is PIYNNFSXJSIDNB-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-9(12)11-7-8(2)10(3,4)5/h7H,6H2,1-5H3,(H,11,12)/b8-7+.
What are the key properties of N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide?
N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide has a molecular weight of 169.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide is sourced from PubChem (CID 146429738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).