(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one

C16H17NO2 — CID 10753509

IUPAC(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one
SMILESC=CCC1/C(=C\C(C)=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C16H17NO2/c1-4-7-15-14(10-11(2)18)13-8-5-6-9-16(13)17(15)12(3)19/h4-6,8-10,15H,1,7H2,2-3H3/b14-10-
InChIKeyKXPIKZUFPKABKH-UVTDQMKNSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds3

About (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one

(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one (PubChem CID 10753509) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one
PubChem CID10753509
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one
SMILESC=CCC1/C(=C\C(C)=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C16H17NO2/c1-4-7-15-14(10-11(2)18)13-8-5-6-9-16(13)17(15)12(3)19/h4-6,8-10,15H,1,7H2,2-3H3/b14-10-
InChIKeyKXPIKZUFPKABKH-UVTDQMKNSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one?
The IUPAC name of (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one (CID 10753509) is (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one is C=CCC1/C(=C\C(C)=O)c2ccccc2N1C(C)=O.
What is the InChIKey of (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one?
The InChIKey is KXPIKZUFPKABKH-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H17NO2/c1-4-7-15-14(10-11(2)18)13-8-5-6-9-16(13)17(15)12(3)19/h4-6,8-10,15H,1,7H2,2-3H3/b14-10-.
What are the key properties of (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one?
(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one is sourced from PubChem (CID 10753509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).