4-(ethylamino)-4-methylpent-1-en-3-one

C8H15NO — CID 116566077

IUPAC4-(ethylamino)-4-methylpent-1-en-3-one
SMILESC=CC(=O)C(C)(C)NCC
InChIInChI=1S/C8H15NO/c1-5-7(10)8(3,4)9-6-2/h5,9H,1,6H2,2-4H3
InChIKeyFQJYVHFEOUTPLQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds4

About 4-(ethylamino)-4-methylpent-1-en-3-one

4-(ethylamino)-4-methylpent-1-en-3-one (PubChem CID 116566077) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(ethylamino)-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name4-(ethylamino)-4-methylpent-1-en-3-one
PubChem CID116566077
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(ethylamino)-4-methylpent-1-en-3-one
SMILESC=CC(=O)C(C)(C)NCC
InChIInChI=1S/C8H15NO/c1-5-7(10)8(3,4)9-6-2/h5,9H,1,6H2,2-4H3
InChIKeyFQJYVHFEOUTPLQ-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.13
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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Related Compounds

N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide
CID 123790075
N-(3-ethenoxypropyl)-2-(ethylamino)-2-methylpropanamide
CID 62837032
4,4-difluoropent-1-en-3-one
CID 89392918
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159
ethyl 2-(ethylamino)-2-methylbut-3-enoate
CID 123159457
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
3-(ethenylamino)-3-methylbutan-2-one
CID 156741389
N-methylethanamine;prop-2-enoic acid
CID 87363958
2-ethoxy-2-methyl-3-oxopent-4-enoic acid
CID 174884314
2-(ethylamino)-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 62833567
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-4-methylpent-1-en-3-one?
The IUPAC name of 4-(ethylamino)-4-methylpent-1-en-3-one (CID 116566077) is 4-(ethylamino)-4-methylpent-1-en-3-one.
What is the SMILES notation for 4-(ethylamino)-4-methylpent-1-en-3-one?
The canonical SMILES for 4-(ethylamino)-4-methylpent-1-en-3-one is C=CC(=O)C(C)(C)NCC.
What is the InChIKey of 4-(ethylamino)-4-methylpent-1-en-3-one?
The InChIKey is FQJYVHFEOUTPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-7(10)8(3,4)9-6-2/h5,9H,1,6H2,2-4H3.
What are the key properties of 4-(ethylamino)-4-methylpent-1-en-3-one?
4-(ethylamino)-4-methylpent-1-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-4-methylpent-1-en-3-one is sourced from PubChem (CID 116566077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).