(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol

C14H29NO — CID 170266893

IUPAC(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol
SMILESCCCCCCCC(C)C1CN(C)C[C@H]1O
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-9-12(2)13-10-15(3)11-14(13)16/h12-14,16H,4-11H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyIMYONYIRCUXVRO-JXQTWKCFSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds7

About (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol

(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol (PubChem CID 170266893) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol
PubChem CID170266893
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol
SMILESCCCCCCCC(C)C1CN(C)C[C@H]1O
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-9-12(2)13-10-15(3)11-14(13)16/h12-14,16H,4-11H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyIMYONYIRCUXVRO-JXQTWKCFSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol (CID 170266893) is (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol is CCCCCCCC(C)C1CN(C)C[C@H]1O.
What is the InChIKey of (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol?
The InChIKey is IMYONYIRCUXVRO-JXQTWKCFSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-7-8-9-12(2)13-10-15(3)11-14(13)16/h12-14,16H,4-11H2,1-3H3/t12?,13?,14-/m1/s1.
What are the key properties of (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol?
(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 170266893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).