but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide

C13H25NO — CID 90948367

IUPACbut-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCC.C=CCNC(=O)C(C)(C)CC
InChIInChI=1S/C9H17NO.C4H8/c1-5-7-10-8(11)9(3,4)6-2;1-3-4-2/h5H,1,6-7H2,2-4H3,(H,10,11);3H,1,4H2,2H3
InChIKeyFURCXBQTPRMZEY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.31
Rot. Bonds5

About but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide

but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide (PubChem CID 90948367) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Namebut-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide
PubChem CID90948367
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namebut-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCC.C=CCNC(=O)C(C)(C)CC
InChIInChI=1S/C9H17NO.C4H8/c1-5-7-10-8(11)9(3,4)6-2;1-3-4-2/h5H,1,6-7H2,2-4H3,(H,10,11);3H,1,4H2,2H3
InChIKeyFURCXBQTPRMZEY-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.31
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 but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide?
The IUPAC name of but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide (CID 90948367) is but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide?
The canonical SMILES for but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide is C=CCC.C=CCNC(=O)C(C)(C)CC.
What is the InChIKey of but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide?
The InChIKey is FURCXBQTPRMZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C4H8/c1-5-7-10-8(11)9(3,4)6-2;1-3-4-2/h5H,1,6-7H2,2-4H3,(H,10,11);3H,1,4H2,2H3.
What are the key properties of but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide?
but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide has a molecular weight of 211.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 90948367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).