(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol

C11H21NO — CID 59597482

IUPAC(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol
SMILESC=C1CC[C@H](CC[C@@H](O)CC)N1C
InChIInChI=1S/C11H21NO/c1-4-11(13)8-7-10-6-5-9(2)12(10)3/h10-11,13H,2,4-8H2,1,3H3/t10-,11+/m1/s1
InChIKeyYOWOACCQPVFDMF-MNOVXSKESA-N
MW183.29 g/mol
LogP2.15
Rot. Bonds4

About (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol

(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol (PubChem CID 59597482) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol
PubChem CID59597482
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol
SMILESC=C1CC[C@H](CC[C@@H](O)CC)N1C
InChIInChI=1S/C11H21NO/c1-4-11(13)8-7-10-6-5-9(2)12(10)3/h10-11,13H,2,4-8H2,1,3H3/t10-,11+/m1/s1
InChIKeyYOWOACCQPVFDMF-MNOVXSKESA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium
CID 59597481
CID 59808920
CID 59808920
6-Pyrrolidin-1-ylhept-6-en-1-ol
CID 166712847
3-(1-Pent-4-enylpyrrolidin-2-yl)propan-1-ol
CID 64298553
3-(1-Hept-6-enylpyrrolidin-2-yl)propan-1-ol
CID 107010095
1-(1-Hept-6-enylpyrrolidin-2-yl)propan-2-ol
CID 107011016
3-[1-(3-Methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol
CID 114448933
1-(1-Pent-4-enylpyrrolidin-2-yl)propan-2-ol
CID 115758789

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol?
The IUPAC name of (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol (CID 59597482) is (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol.
What is the SMILES notation for (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol?
The canonical SMILES for (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol is C=C1CC[C@H](CC[C@@H](O)CC)N1C.
What is the InChIKey of (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol?
The InChIKey is YOWOACCQPVFDMF-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(13)8-7-10-6-5-9(2)12(10)3/h10-11,13H,2,4-8H2,1,3H3/t10-,11+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol?
(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol has a molecular weight of 183.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol is sourced from PubChem (CID 59597482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).