(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine

C9H14N2O — CID 129494042

IUPAC(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CNC[C@H]2N)o1
InChIInChI=1S/C9H14N2O/c1-6-2-3-9(12-6)7-4-11-5-8(7)10/h2-3,7-8,11H,4-5,10H2,1H3/t7-,8-/m1/s1
InChIKeyWCMNBISCKXRCMX-HTQZYQBOSA-N
MW166.22 g/mol
LogP0.60
Rot. Bonds1

About (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine

(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine (PubChem CID 129494042) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
PubChem CID129494042
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CNC[C@H]2N)o1
InChIInChI=1S/C9H14N2O/c1-6-2-3-9(12-6)7-4-11-5-8(7)10/h2-3,7-8,11H,4-5,10H2,1H3/t7-,8-/m1/s1
InChIKeyWCMNBISCKXRCMX-HTQZYQBOSA-N
XLogP0.60
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine (CID 129494042) is (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine is Cc1ccc([C@@H]2CNC[C@H]2N)o1.
What is the InChIKey of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The InChIKey is WCMNBISCKXRCMX-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-2-3-9(12-6)7-4-11-5-8(7)10/h2-3,7-8,11H,4-5,10H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine has a molecular weight of 166.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 129494042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).