N-but-2-en-2-yl-3-methylbutanamide

C9H17NO — CID 88738573

IUPACN-but-2-en-2-yl-3-methylbutanamide
SMILESCC=C(C)NC(=O)CC(C)C
InChIInChI=1S/C9H17NO/c1-5-8(4)10-9(11)6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)
InChIKeyBACBMIVYKCCQQO-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.07
Rot. Bonds3

About N-but-2-en-2-yl-3-methylbutanamide

N-but-2-en-2-yl-3-methylbutanamide (PubChem CID 88738573) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-but-2-en-2-yl-3-methylbutanamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-3-methylbutanamide
PubChem CID88738573
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-but-2-en-2-yl-3-methylbutanamide
SMILESCC=C(C)NC(=O)CC(C)C
InChIInChI=1S/C9H17NO/c1-5-8(4)10-9(11)6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)
InChIKeyBACBMIVYKCCQQO-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-3-methylbutanamide?
The IUPAC name of N-but-2-en-2-yl-3-methylbutanamide (CID 88738573) is N-but-2-en-2-yl-3-methylbutanamide.
What is the SMILES notation for N-but-2-en-2-yl-3-methylbutanamide?
The canonical SMILES for N-but-2-en-2-yl-3-methylbutanamide is CC=C(C)NC(=O)CC(C)C.
What is the InChIKey of N-but-2-en-2-yl-3-methylbutanamide?
The InChIKey is BACBMIVYKCCQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)10-9(11)6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11).
What are the key properties of N-but-2-en-2-yl-3-methylbutanamide?
N-but-2-en-2-yl-3-methylbutanamide has a molecular weight of 155.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-3-methylbutanamide is sourced from PubChem (CID 88738573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).