(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol

C15H24N2O2 — CID 71067414

IUPAC(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
SMILESCC1C=C(N2CC[C@H](O)C2)C=C(N2CCOCC2)C1
InChIInChI=1S/C15H24N2O2/c1-12-8-13(16-4-6-19-7-5-16)10-14(9-12)17-3-2-15(18)11-17/h9-10,12,15,18H,2-8,11H2,1H3/t12?,15-/m0/s1
InChIKeyNXVYGVQGPBSQLM-CVRLYYSRSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds2

About (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol

(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol (PubChem CID 71067414) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
PubChem CID71067414
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
SMILESCC1C=C(N2CC[C@H](O)C2)C=C(N2CCOCC2)C1
InChIInChI=1S/C15H24N2O2/c1-12-8-13(16-4-6-19-7-5-16)10-14(9-12)17-3-2-15(18)11-17/h9-10,12,15,18H,2-8,11H2,1H3/t12?,15-/m0/s1
InChIKeyNXVYGVQGPBSQLM-CVRLYYSRSA-N
XLogP1.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
1-phenylpyrrolidin-3-ol
CID 11171152
4-(3,6-dimethylcyclohexen-1-yl)morpholine
CID 121011898
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
CID 89174477
1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972911
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 22598705

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol (CID 71067414) is (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol is CC1C=C(N2CC[C@H](O)C2)C=C(N2CCOCC2)C1.
What is the InChIKey of (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
The InChIKey is NXVYGVQGPBSQLM-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-8-13(16-4-6-19-7-5-16)10-14(9-12)17-3-2-15(18)11-17/h9-10,12,15,18H,2-8,11H2,1H3/t12?,15-/m0/s1.
What are the key properties of (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 71067414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).