N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide

C19H21NO5 — CID 171907057

IUPACN-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)NC3(CO)CC=CC3)c(=O)oc2c1
InChIInChI=1S/C19H21NO5/c1-12(2)24-14-6-5-13-9-15(18(23)25-16(13)10-14)17(22)20-19(11-21)7-3-4-8-19/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyOYHRNWSETWTMJY-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.39
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide

N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide (PubChem CID 171907057) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
PubChem CID171907057
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)NC3(CO)CC=CC3)c(=O)oc2c1
InChIInChI=1S/C19H21NO5/c1-12(2)24-14-6-5-13-9-15(18(23)25-16(13)10-14)17(22)20-19(11-21)7-3-4-8-19/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyOYHRNWSETWTMJY-UHFFFAOYSA-N
XLogP2.39
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171908403
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171913252
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171387932
[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 19185670
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
CID 19185609
2-[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl]oxyacetic acid
CID 20993682
2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 171388806
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
CID 19186639
2-oxo-7-propan-2-yloxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]chromene-3-carboxamide
CID 171915356
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171914487
methyl 2-(3-acetyl-2-oxochromen-7-yl)oxypropanoate
CID 110275215
2-[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl]oxy-2-phenylacetic acid
CID 22684544

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide (CID 171907057) is N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide is CC(C)Oc1ccc2cc(C(=O)NC3(CO)CC=CC3)c(=O)oc2c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
The InChIKey is OYHRNWSETWTMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(2)24-14-6-5-13-9-15(18(23)25-16(13)10-14)17(22)20-19(11-21)7-3-4-8-19/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide?
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide is sourced from PubChem (CID 171907057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).