(2S)-2-(4-methylfuran-3-yl)pyrrolidine

C9H13NO — CID 96733805

IUPAC(2S)-2-(4-methylfuran-3-yl)pyrrolidine
SMILESCc1cocc1[C@@H]1CCCN1
InChIInChI=1S/C9H13NO/c1-7-5-11-6-8(7)9-3-2-4-10-9/h5-6,9-10H,2-4H2,1H3/t9-/m0/s1
InChIKeyKEPXHIOLURRXFX-VIFPVBQESA-N
MW151.21 g/mol
LogP2.01
Rot. Bonds1

About (2S)-2-(4-methylfuran-3-yl)pyrrolidine

(2S)-2-(4-methylfuran-3-yl)pyrrolidine (PubChem CID 96733805) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2S)-2-(4-methylfuran-3-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-methylfuran-3-yl)pyrrolidine
PubChem CID96733805
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2S)-2-(4-methylfuran-3-yl)pyrrolidine
SMILESCc1cocc1[C@@H]1CCCN1
InChIInChI=1S/C9H13NO/c1-7-5-11-6-8(7)9-3-2-4-10-9/h5-6,9-10H,2-4H2,1H3/t9-/m0/s1
InChIKeyKEPXHIOLURRXFX-VIFPVBQESA-N
XLogP2.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile
CID 131097005
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
4-[(2R)-piperidin-2-yl]furan-3-carbonitrile
CID 130782183
2-(2-methylfuran-3-yl)pyrrolidine
CID 82594864
1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117338806
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
2-(5-methylfuran-3-yl)pyrrolidine
CID 82594860
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylfuran-3-yl)pyrrolidine?
The IUPAC name of (2S)-2-(4-methylfuran-3-yl)pyrrolidine (CID 96733805) is (2S)-2-(4-methylfuran-3-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-methylfuran-3-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-methylfuran-3-yl)pyrrolidine is Cc1cocc1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(4-methylfuran-3-yl)pyrrolidine?
The InChIKey is KEPXHIOLURRXFX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-11-6-8(7)9-3-2-4-10-9/h5-6,9-10H,2-4H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(4-methylfuran-3-yl)pyrrolidine?
(2S)-2-(4-methylfuran-3-yl)pyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylfuran-3-yl)pyrrolidine is sourced from PubChem (CID 96733805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).