(Z)-4,5-bis(dimethylamino)pent-3-en-2-one

C9H18N2O — CID 6371132

IUPAC(Z)-4,5-bis(dimethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/CN(C)C)N(C)C
InChIInChI=1S/C9H18N2O/c1-8(12)6-9(11(4)5)7-10(2)3/h6H,7H2,1-5H3/b9-6-
InChIKeyPWZGQDCGIULMHD-TWGQIWQCSA-N
MW170.26 g/mol
LogP0.58
Rot. Bonds4

About (Z)-4,5-bis(dimethylamino)pent-3-en-2-one

(Z)-4,5-bis(dimethylamino)pent-3-en-2-one (PubChem CID 6371132) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z)-4,5-bis(dimethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4,5-bis(dimethylamino)pent-3-en-2-one
PubChem CID6371132
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z)-4,5-bis(dimethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/CN(C)C)N(C)C
InChIInChI=1S/C9H18N2O/c1-8(12)6-9(11(4)5)7-10(2)3/h6H,7H2,1-5H3/b9-6-
InChIKeyPWZGQDCGIULMHD-TWGQIWQCSA-N
XLogP0.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4,5-bis(dimethylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4,5-bis(dimethylamino)pent-3-en-2-one (CID 6371132) is (Z)-4,5-bis(dimethylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4,5-bis(dimethylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4,5-bis(dimethylamino)pent-3-en-2-one is CC(=O)/C=C(/CN(C)C)N(C)C.
What is the InChIKey of (Z)-4,5-bis(dimethylamino)pent-3-en-2-one?
The InChIKey is PWZGQDCGIULMHD-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)6-9(11(4)5)7-10(2)3/h6H,7H2,1-5H3/b9-6-.
What are the key properties of (Z)-4,5-bis(dimethylamino)pent-3-en-2-one?
(Z)-4,5-bis(dimethylamino)pent-3-en-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-bis(dimethylamino)pent-3-en-2-one is sourced from PubChem (CID 6371132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).