[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone

C14H15ClN2O2 — CID 119410350

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C2)oc2c(Cl)cccc12
InChIInChI=1S/C14H15ClN2O2/c1-8-10-3-2-4-11(15)13(10)19-12(8)14(18)17-6-5-9(16)7-17/h2-4,9H,5-7,16H2,1H3/t9-/m1/s1
InChIKeyNFPIZWKPGNLTDZ-SECBINFHSA-N
MW278.74 g/mol
LogP2.57
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 119410350) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID119410350
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C2)oc2c(Cl)cccc12
InChIInChI=1S/C14H15ClN2O2/c1-8-10-3-2-4-11(15)13(10)19-12(8)14(18)17-6-5-9(16)7-17/h2-4,9H,5-7,16H2,1H3/t9-/m1/s1
InChIKeyNFPIZWKPGNLTDZ-SECBINFHSA-N
XLogP2.57
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone (CID 119410350) is [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CC[C@@H](N)C2)oc2c(Cl)cccc12.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is NFPIZWKPGNLTDZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-10-3-2-4-11(15)13(10)19-12(8)14(18)17-6-5-9(16)7-17/h2-4,9H,5-7,16H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 278.74 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 119410350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).