(Z)-N-butoxy-2-methylbut-2-enamide

C9H17NO2 — CID 89103955

IUPAC(Z)-N-butoxy-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NOCCCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h5H,4,6-7H2,1-3H3,(H,10,11)/b8-5-
InChIKeyLRYJMWCUZODIGE-YVMONPNESA-N
MW171.24 g/mol
LogP1.80
Rot. Bonds5

About (Z)-N-butoxy-2-methylbut-2-enamide

(Z)-N-butoxy-2-methylbut-2-enamide (PubChem CID 89103955) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-N-butoxy-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-butoxy-2-methylbut-2-enamide
PubChem CID89103955
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(Z)-N-butoxy-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NOCCCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h5H,4,6-7H2,1-3H3,(H,10,11)/b8-5-
InChIKeyLRYJMWCUZODIGE-YVMONPNESA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butoxy-2-methylidenebutanamide
CID 151866708
N-butoxypropanamide
CID 86250289
2-methyl-N-(pentoxymethyl)but-2-enamide
CID 141202882
N-butoxy-2-(methylsulfonylmethyl)prop-2-enamide
CID 87928035
undecyl (E)-2-methylbut-2-enoate
CID 91701896
N-pentoxyprop-2-enamide
CID 174822996
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
(Z)-3-methylpent-3-en-2-one;pentane
CID 54554891
ethyl 2-(4-aminobutoxyamino)-2-oxoacetate
CID 54552637
butyl 3-hydroxy-2-methylprop-2-enoate
CID 141127491
N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide
CID 102118181
4-O-butyl 1-O-methyl 2-methylbut-2-enedioate
CID 175490219

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butoxy-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-butoxy-2-methylbut-2-enamide (CID 89103955) is (Z)-N-butoxy-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-butoxy-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-butoxy-2-methylbut-2-enamide is C/C=C(/C)C(=O)NOCCCC.
What is the InChIKey of (Z)-N-butoxy-2-methylbut-2-enamide?
The InChIKey is LRYJMWCUZODIGE-YVMONPNESA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h5H,4,6-7H2,1-3H3,(H,10,11)/b8-5-.
What are the key properties of (Z)-N-butoxy-2-methylbut-2-enamide?
(Z)-N-butoxy-2-methylbut-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butoxy-2-methylbut-2-enamide is sourced from PubChem (CID 89103955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).