2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one

C10H21NOSi — CID 123775544

IUPAC2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one
SMILESC=C(C)C(=O)CCNCCC[SiH2]C
InChIInChI=1S/C10H21NOSi/c1-9(2)10(12)5-7-11-6-4-8-13-3/h11H,1,4-8,13H2,2-3H3
InChIKeyKOIKTBMAMOXFCS-UHFFFAOYSA-N
MW199.37 g/mol
LogP1.14
Rot. Bonds8

About 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one

2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one (PubChem CID 123775544) has the molecular formula C10H21NOSi and a molecular weight of 199.37 g/mol. Its IUPAC name is 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one.

Molecular Properties

Compound Name2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one
PubChem CID123775544
Molecular FormulaC10H21NOSi
Molecular Weight199.37 g/mol
Exact Mass199.14
IUPAC Name2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one
SMILESC=C(C)C(=O)CCNCCC[SiH2]C
InChIInChI=1S/C10H21NOSi/c1-9(2)10(12)5-7-11-6-4-8-13-3/h11H,1,4-8,13H2,2-3H3
InChIKeyKOIKTBMAMOXFCS-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-3-oxopent-4-enyl)-3-(4-oxobutyl)urea
CID 151059749
2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
CID 116558170
6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
CID 123495832
4-methylsilylbutanoic acid
CID 123603820
2-methyloct-1-en-3-one
CID 12585814
methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
CID 160733376
3,4-dimethyl-1-N,2-N-bis(4-methyl-3-oxopent-4-enyl)cyclobuta-1,3-diene-1,2-dicarboxamide
CID 67764312
2-methyl-7-silyloxyhept-1-en-3-one
CID 150129345
10-methyl-9-oxoundec-10-enal
CID 173103991
2-methylhentriacont-1-en-3-one
CID 153436335
2-methyltridec-1-en-3-one
CID 91110358
2-methylnonadec-1-en-3-one
CID 150628128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one?
The IUPAC name of 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one (CID 123775544) is 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one.
What is the SMILES notation for 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one?
The canonical SMILES for 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one is C=C(C)C(=O)CCNCCC[SiH2]C.
What is the InChIKey of 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one?
The InChIKey is KOIKTBMAMOXFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOSi/c1-9(2)10(12)5-7-11-6-4-8-13-3/h11H,1,4-8,13H2,2-3H3.
What are the key properties of 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one?
2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one has a molecular weight of 199.37 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one is sourced from PubChem (CID 123775544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).