(Z)-4-(tert-butylamino)pent-3-en-2-one

C9H17NO — CID 12671532

IUPAC(Z)-4-(tert-butylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NC(C)(C)C
InChIInChI=1S/C9H17NO/c1-7(6-8(2)11)10-9(3,4)5/h6,10H,1-5H3/b7-6-
InChIKeyQGBWVBIEWYYPAA-SREVYHEPSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds2

About (Z)-4-(tert-butylamino)pent-3-en-2-one

(Z)-4-(tert-butylamino)pent-3-en-2-one (PubChem CID 12671532) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-4-(tert-butylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(tert-butylamino)pent-3-en-2-one
PubChem CID12671532
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-4-(tert-butylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NC(C)(C)C
InChIInChI=1S/C9H17NO/c1-7(6-8(2)11)10-9(3,4)5/h6,10H,1-5H3/b7-6-
InChIKeyQGBWVBIEWYYPAA-SREVYHEPSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-(tert-butylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(tert-butylamino)pent-3-en-2-one (CID 12671532) is (Z)-4-(tert-butylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(tert-butylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(tert-butylamino)pent-3-en-2-one is CC(=O)/C=C(/C)NC(C)(C)C.
What is the InChIKey of (Z)-4-(tert-butylamino)pent-3-en-2-one?
The InChIKey is QGBWVBIEWYYPAA-SREVYHEPSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(6-8(2)11)10-9(3,4)5/h6,10H,1-5H3/b7-6-.
What are the key properties of (Z)-4-(tert-butylamino)pent-3-en-2-one?
(Z)-4-(tert-butylamino)pent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(tert-butylamino)pent-3-en-2-one is sourced from PubChem (CID 12671532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).