[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine

C10H16N2O — CID 96744208

IUPAC[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1C[C@H](CN)[C@H](c2ccco2)C1
InChIInChI=1S/C10H16N2O/c1-12-6-8(5-11)9(7-12)10-3-2-4-13-10/h2-4,8-9H,5-7,11H2,1H3/t8-,9+/m0/s1
InChIKeyJXEZYJBAZKLSKS-DTWKUNHWSA-N
MW180.25 g/mol
LogP0.88
Rot. Bonds2

About [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine

[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 96744208) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID96744208
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1C[C@H](CN)[C@H](c2ccco2)C1
InChIInChI=1S/C10H16N2O/c1-12-6-8(5-11)9(7-12)10-3-2-4-13-10/h2-4,8-9H,5-7,11H2,1H3/t8-,9+/m0/s1
InChIKeyJXEZYJBAZKLSKS-DTWKUNHWSA-N
XLogP0.88
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(furan-2-yl)cycloheptyl]methanamine
CID 81010401
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 124675425
[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
CID 82622276
[2-(furan-2-yl)pyrrolidin-3-yl]methanamine
CID 82414177
N-[[2-(furan-2-yl)cyclopropyl]methyl]-N-hydroxyacetamide
CID 19894128
N-[[(1R,2R)-2-(furan-2-yl)cyclopropyl]methyl]-N-hydroxyacetamide
CID 22844507
4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 82193266
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 117022057
(1S)-1-[(1R,2S)-2-(furan-2-yl)cyclopropyl]ethanamine
CID 29079255
methyl (3S,4R)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485192

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 96744208) is [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1C[C@H](CN)[C@H](c2ccco2)C1.
What is the InChIKey of [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JXEZYJBAZKLSKS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-6-8(5-11)9(7-12)10-3-2-4-13-10/h2-4,8-9H,5-7,11H2,1H3/t8-,9+/m0/s1.
What are the key properties of [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 96744208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).