1-butanimidoylpyrrolidin-3-ol

C8H16N2O — CID 163544855

IUPAC1-butanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\CCC)N1CCC(O)C1
InChIInChI=1S/C8H16N2O/c1-2-3-8(9)10-5-4-7(11)6-10/h7,9,11H,2-6H2,1H3/b9-8+
InChIKeyFEEAYSSOCZLLRT-CMDGGOBGSA-N
MW156.23 g/mol
LogP0.83
Rot. Bonds2

About 1-butanimidoylpyrrolidin-3-ol

1-butanimidoylpyrrolidin-3-ol (PubChem CID 163544855) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-butanimidoylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-butanimidoylpyrrolidin-3-ol
PubChem CID163544855
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-butanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\CCC)N1CCC(O)C1
InChIInChI=1S/C8H16N2O/c1-2-3-8(9)10-5-4-7(11)6-10/h7,9,11H,2-6H2,1H3/b9-8+
InChIKeyFEEAYSSOCZLLRT-CMDGGOBGSA-N
XLogP0.83
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethanimidoylpyrrolidin-3-ol
CID 17919898
1-[[1-(2-Hydroxypropyl)-5-(2-hydroxypropylimino)pyrrolidin-2-ylidene]amino]propan-2-ol
CID 67874197
(R)-1-(1-Iminoethyl)pyrrolidin-3-ol
CID 71355673
1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
2-Methyl-1-propanimidoylpyrrolidine-3,4-diol
CID 123459270
(3R)-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
CID 129037001
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
Ethane;1-ethanimidoylpyrrolidin-3-ol
CID 145296457
1-(2-Iminoethanimidoyl)pyrrolidin-3-ol
CID 170743564
1-Ethyl-2-methyliminopyrrolidin-3-ol
CID 21720896
2-hydroxy-N,N-bis(2-hydroxypropyl)propanimidamide
CID 44145137

Frequently Asked Questions

What is the IUPAC name of 1-butanimidoylpyrrolidin-3-ol?
The IUPAC name of 1-butanimidoylpyrrolidin-3-ol (CID 163544855) is 1-butanimidoylpyrrolidin-3-ol.
What is the SMILES notation for 1-butanimidoylpyrrolidin-3-ol?
The canonical SMILES for 1-butanimidoylpyrrolidin-3-ol is [H]/N=C(\CCC)N1CCC(O)C1.
What is the InChIKey of 1-butanimidoylpyrrolidin-3-ol?
The InChIKey is FEEAYSSOCZLLRT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-8(9)10-5-4-7(11)6-10/h7,9,11H,2-6H2,1H3/b9-8+.
What are the key properties of 1-butanimidoylpyrrolidin-3-ol?
1-butanimidoylpyrrolidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanimidoylpyrrolidin-3-ol is sourced from PubChem (CID 163544855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).