(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen

C17H22N2O — CID 142017819

IUPAC(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen
SMILESCC.CCC/C=C1\C(=O)Nc2ccc3ncccc3c21.[H][H]
InChIInChI=1S/C15H14N2O.C2H6.H2/c1-2-3-5-11-14-10-6-4-9-16-12(10)7-8-13(14)17-15(11)18;1-2;/h4-9H,2-3H2,1H3,(H,17,18);1-2H3;1H/b11-5-;;
InChIKeyLCRONQIWLKIJEZ-PHTSJKJYSA-N
MW270.38 g/mol
LogP4.64
Rot. Bonds2

About (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen

(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen (PubChem CID 142017819) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen
PubChem CID142017819
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen
SMILESCC.CCC/C=C1\C(=O)Nc2ccc3ncccc3c21.[H][H]
InChIInChI=1S/C15H14N2O.C2H6.H2/c1-2-3-5-11-14-10-6-4-9-16-12(10)7-8-13(14)17-15(11)18;1-2;/h4-9H,2-3H2,1H3,(H,17,18);1-2H3;1H/b11-5-;;
InChIKeyLCRONQIWLKIJEZ-PHTSJKJYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen?
The IUPAC name of (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen (CID 142017819) is (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen.
What is the SMILES notation for (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen?
The canonical SMILES for (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen is CC.CCC/C=C1\C(=O)Nc2ccc3ncccc3c21.[H][H].
What is the InChIKey of (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen?
The InChIKey is LCRONQIWLKIJEZ-PHTSJKJYSA-N. The full InChI is InChI=1S/C15H14N2O.C2H6.H2/c1-2-3-5-11-14-10-6-4-9-16-12(10)7-8-13(14)17-15(11)18;1-2;/h4-9H,2-3H2,1H3,(H,17,18);1-2H3;1H/b11-5-;;.
What are the key properties of (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen?
(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen has a molecular weight of 270.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen is sourced from PubChem (CID 142017819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).