(Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one

C10H17NOS — CID 143796029

IUPAC(Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one
SMILESCS/C(C(C)=O)=C(/C)N(C)C1CC1
InChIInChI=1S/C10H17NOS/c1-7(10(13-4)8(2)12)11(3)9-5-6-9/h9H,5-6H2,1-4H3/b10-7-
InChIKeyTXGVATKBTCLUTI-YFHOEESVSA-N
MW199.32 g/mol
LogP2.26
Rot. Bonds4

About (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one

(Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one (PubChem CID 143796029) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one
PubChem CID143796029
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one
SMILESCS/C(C(C)=O)=C(/C)N(C)C1CC1
InChIInChI=1S/C10H17NOS/c1-7(10(13-4)8(2)12)11(3)9-5-6-9/h9H,5-6H2,1-4H3/b10-7-
InChIKeyTXGVATKBTCLUTI-YFHOEESVSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.26
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-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one?
The IUPAC name of (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one (CID 143796029) is (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one?
The canonical SMILES for (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one is CS/C(C(C)=O)=C(/C)N(C)C1CC1.
What is the InChIKey of (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one?
The InChIKey is TXGVATKBTCLUTI-YFHOEESVSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(10(13-4)8(2)12)11(3)9-5-6-9/h9H,5-6H2,1-4H3/b10-7-.
What are the key properties of (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one?
(Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one has a molecular weight of 199.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[cyclopropyl(methyl)amino]-3-methylsulfanylpent-3-en-2-one is sourced from PubChem (CID 143796029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).