2-iminobutan-1-ol

C4H9NO — CID 140782986

IUPAC2-iminobutan-1-ol
SMILES[H]/N=C(\CC)CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h5-6H,2-3H2,1H3/b5-4+
InChIKeyJQWRPTUVOYPXQD-SNAWJCMRSA-N
MW87.12 g/mol
LogP0.41
Rot. Bonds2

About 2-iminobutan-1-ol

2-iminobutan-1-ol (PubChem CID 140782986) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-iminobutan-1-ol.

Molecular Properties

Compound Name2-iminobutan-1-ol
PubChem CID140782986
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-iminobutan-1-ol
SMILES[H]/N=C(\CC)CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h5-6H,2-3H2,1H3/b5-4+
InChIKeyJQWRPTUVOYPXQD-SNAWJCMRSA-N
XLogP0.41
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminopentanol
CID 123912692
1-Fluoro-3-iminobutan-2-ol
CID 88890969
2-Hydroxyiminobutan-1-ol
CID 130121992
2-Iminopropan-1-ol
CID 20580277
2-Iminobutane-1,1,1,4-tetrol
CID 23221843
3-Iminobutan-1-ol
CID 54468047
3-Iminopentan-1-ol
CID 57151415
3-Iminohexan-1-ol
CID 57298949
3-Iminobutan-2-ol
CID 57634791
6-Hydroxyhexan-2-ylideneazanium
CID 59112895
5-Iminohexan-1-ol
CID 59112896
[(4R)-4-hydroxyhexan-3-ylidene]azanium
CID 59915605

Frequently Asked Questions

What is the IUPAC name of 2-iminobutan-1-ol?
The IUPAC name of 2-iminobutan-1-ol (CID 140782986) is 2-iminobutan-1-ol.
What is the SMILES notation for 2-iminobutan-1-ol?
The canonical SMILES for 2-iminobutan-1-ol is [H]/N=C(\CC)CO.
What is the InChIKey of 2-iminobutan-1-ol?
The InChIKey is JQWRPTUVOYPXQD-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-4(5)3-6/h5-6H,2-3H2,1H3/b5-4+.
What are the key properties of 2-iminobutan-1-ol?
2-iminobutan-1-ol has a molecular weight of 87.12 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminobutan-1-ol is sourced from PubChem (CID 140782986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).