N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide

C17H22N2O3 — CID 119602105

IUPACN-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NC1CCCC1CN)CO2
InChIInChI=1S/C17H22N2O3/c1-21-14-5-6-16-12(8-14)7-13(10-22-16)17(20)19-15-4-2-3-11(15)9-18/h5-8,11,15H,2-4,9-10,18H2,1H3,(H,19,20)
InChIKeyJPIJWRLQHIZQOC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 119602105) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
PubChem CID119602105
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NC1CCCC1CN)CO2
InChIInChI=1S/C17H22N2O3/c1-21-14-5-6-16-12(8-14)7-13(10-22-16)17(20)19-15-4-2-3-11(15)9-18/h5-8,11,15H,2-4,9-10,18H2,1H3,(H,19,20)
InChIKeyJPIJWRLQHIZQOC-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide (CID 119602105) is N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)NC1CCCC1CN)CO2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is JPIJWRLQHIZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-14-5-6-16-12(8-14)7-13(10-22-16)17(20)19-15-4-2-3-11(15)9-18/h5-8,11,15H,2-4,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 119602105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).