(2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one

C10H20N2O — CID 44560851

IUPAC(2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-3-6-9(11)10(13)12-7-4-5-8-12/h9H,2-8,11H2,1H3/t9-/m0/s1
InChIKeyIZWPGYBNYFIMCH-VIFPVBQESA-N
MW184.28 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one

(2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 44560851) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one
PubChem CID44560851
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-3-6-9(11)10(13)12-7-4-5-8-12/h9H,2-8,11H2,1H3/t9-/m0/s1
InChIKeyIZWPGYBNYFIMCH-VIFPVBQESA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one (CID 44560851) is (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one is CCCC[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is IZWPGYBNYFIMCH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-6-9(11)10(13)12-7-4-5-8-12/h9H,2-8,11H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one?
(2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 44560851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).