(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide

C10H19NO — CID 58163502

IUPAC(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide
SMILESC/C=C(\C)CNC(=O)[C@@H](C)CC
InChIInChI=1S/C10H19NO/c1-5-8(3)7-11-10(12)9(4)6-2/h5,9H,6-7H2,1-4H3,(H,11,12)/b8-5+/t9-/m0/s1
InChIKeyBFGMMYWFLSBWBV-QRJSTWQJSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds4

About (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide

(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide (PubChem CID 58163502) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide
PubChem CID58163502
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide
SMILESC/C=C(\C)CNC(=O)[C@@H](C)CC
InChIInChI=1S/C10H19NO/c1-5-8(3)7-11-10(12)9(4)6-2/h5,9H,6-7H2,1-4H3,(H,11,12)/b8-5+/t9-/m0/s1
InChIKeyBFGMMYWFLSBWBV-QRJSTWQJSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide?
The IUPAC name of (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide (CID 58163502) is (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide is C/C=C(\C)CNC(=O)[C@@H](C)CC.
What is the InChIKey of (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide?
The InChIKey is BFGMMYWFLSBWBV-QRJSTWQJSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(3)7-11-10(12)9(4)6-2/h5,9H,6-7H2,1-4H3,(H,11,12)/b8-5+/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide?
(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide is sourced from PubChem (CID 58163502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).