methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate

C12H17NO3 — CID 157047444

IUPACmethyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1ccn(C2CCC(OC)C2)c1
InChIInChI=1S/C12H17NO3/c1-15-11-4-3-10(7-11)13-6-5-9(8-13)12(14)16-2/h5-6,8,10-11H,3-4,7H2,1-2H3
InChIKeyBNPRDKBTNMYBGU-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.01
Rot. Bonds3

About methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate

methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate (PubChem CID 157047444) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate
PubChem CID157047444
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1ccn(C2CCC(OC)C2)c1
InChIInChI=1S/C12H17NO3/c1-15-11-4-3-10(7-11)13-6-5-9(8-13)12(14)16-2/h5-6,8,10-11H,3-4,7H2,1-2H3
InChIKeyBNPRDKBTNMYBGU-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate (CID 157047444) is methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate is COC(=O)c1ccn(C2CCC(OC)C2)c1.
What is the InChIKey of methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate?
The InChIKey is BNPRDKBTNMYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-11-4-3-10(7-11)13-6-5-9(8-13)12(14)16-2/h5-6,8,10-11H,3-4,7H2,1-2H3.
What are the key properties of methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate?
methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxycyclopentyl)pyrrole-3-carboxylate is sourced from PubChem (CID 157047444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).