1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone

C15H21NO — CID 143579770

IUPAC1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone
SMILESCNc1ccc(C(C)=O)cc1/C=C\CC(C)C
InChIInChI=1S/C15H21NO/c1-11(2)6-5-7-14-10-13(12(3)17)8-9-15(14)16-4/h5,7-11,16H,6H2,1-4H3/b7-5-
InChIKeyKVGPMSLXQANETM-ALCCZGGFSA-N
MW231.34 g/mol
LogP3.99
Rot. Bonds5

About 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone

1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone (PubChem CID 143579770) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone
PubChem CID143579770
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone
SMILESCNc1ccc(C(C)=O)cc1/C=C\CC(C)C
InChIInChI=1S/C15H21NO/c1-11(2)6-5-7-14-10-13(12(3)17)8-9-15(14)16-4/h5,7-11,16H,6H2,1-4H3/b7-5-
InChIKeyKVGPMSLXQANETM-ALCCZGGFSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone (CID 143579770) is 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone is CNc1ccc(C(C)=O)cc1/C=C\CC(C)C.
What is the InChIKey of 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone?
The InChIKey is KVGPMSLXQANETM-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)6-5-7-14-10-13(12(3)17)8-9-15(14)16-4/h5,7-11,16H,6H2,1-4H3/b7-5-.
What are the key properties of 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone?
1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone is sourced from PubChem (CID 143579770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).