(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide

C11H19NO — CID 89027811

IUPAC(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide
SMILESC/C(=C/C(=O)NC(C)(C)C)C1CC1
InChIInChI=1S/C11H19NO/c1-8(9-5-6-9)7-10(13)12-11(2,3)4/h7,9H,5-6H2,1-4H3,(H,12,13)/b8-7-
InChIKeyXEUKMXYTTLTWEY-FPLPWBNLSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds2

About (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide

(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide (PubChem CID 89027811) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide
PubChem CID89027811
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide
SMILESC/C(=C/C(=O)NC(C)(C)C)C1CC1
InChIInChI=1S/C11H19NO/c1-8(9-5-6-9)7-10(13)12-11(2,3)4/h7,9H,5-6H2,1-4H3,(H,12,13)/b8-7-
InChIKeyXEUKMXYTTLTWEY-FPLPWBNLSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide (CID 89027811) is (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide is C/C(=C/C(=O)NC(C)(C)C)C1CC1.
What is the InChIKey of (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide?
The InChIKey is XEUKMXYTTLTWEY-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(9-5-6-9)7-10(13)12-11(2,3)4/h7,9H,5-6H2,1-4H3,(H,12,13)/b8-7-.
What are the key properties of (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide?
(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-cyclopropylbut-2-enamide is sourced from PubChem (CID 89027811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).