(4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one

C10H17NO — CID 146282574

IUPAC(4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1C[C@H](CNC)CC1=O
InChIInChI=1S/C10H17NO/c1-3-4-9-5-8(7-11-2)6-10(9)12/h3,8-9,11H,1,4-7H2,2H3/t8-,9?/m0/s1
InChIKeyZHRUPDOSEXPUQD-IENPIDJESA-N
MW167.25 g/mol
LogP1.38
Rot. Bonds4

About (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one

(4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one (PubChem CID 146282574) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one
PubChem CID146282574
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1C[C@H](CNC)CC1=O
InChIInChI=1S/C10H17NO/c1-3-4-9-5-8(7-11-2)6-10(9)12/h3,8-9,11H,1,4-7H2,2H3/t8-,9?/m0/s1
InChIKeyZHRUPDOSEXPUQD-IENPIDJESA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one (CID 146282574) is (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one is C=CCC1C[C@H](CNC)CC1=O.
What is the InChIKey of (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one?
The InChIKey is ZHRUPDOSEXPUQD-IENPIDJESA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-9-5-8(7-11-2)6-10(9)12/h3,8-9,11H,1,4-7H2,2H3/t8-,9?/m0/s1.
What are the key properties of (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one?
(4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylaminomethyl)-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 146282574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).