(Z)-4-(2-methylpropylamino)pent-3-en-2-one

C9H17NO — CID 12595741

IUPAC(Z)-4-(2-methylpropylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)6-10-8(3)5-9(4)11/h5,7,10H,6H2,1-4H3/b8-5-
InChIKeyWMXUIPXUVXNVKF-YVMONPNESA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds4

About (Z)-4-(2-methylpropylamino)pent-3-en-2-one

(Z)-4-(2-methylpropylamino)pent-3-en-2-one (PubChem CID 12595741) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-4-(2-methylpropylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(2-methylpropylamino)pent-3-en-2-one
PubChem CID12595741
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-4-(2-methylpropylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)6-10-8(3)5-9(4)11/h5,7,10H,6H2,1-4H3/b8-5-
InChIKeyWMXUIPXUVXNVKF-YVMONPNESA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
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-(2-methylpropylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(2-methylpropylamino)pent-3-en-2-one (CID 12595741) is (Z)-4-(2-methylpropylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(2-methylpropylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(2-methylpropylamino)pent-3-en-2-one is CC(=O)/C=C(/C)NCC(C)C.
What is the InChIKey of (Z)-4-(2-methylpropylamino)pent-3-en-2-one?
The InChIKey is WMXUIPXUVXNVKF-YVMONPNESA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)6-10-8(3)5-9(4)11/h5,7,10H,6H2,1-4H3/b8-5-.
What are the key properties of (Z)-4-(2-methylpropylamino)pent-3-en-2-one?
(Z)-4-(2-methylpropylamino)pent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-methylpropylamino)pent-3-en-2-one is sourced from PubChem (CID 12595741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).