(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol

C8H17NO — CID 10997149

IUPAC(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
SMILESC/C=C/[C@@H](O)CNC(C)C
InChIInChI=1S/C8H17NO/c1-4-5-8(10)6-9-7(2)3/h4-5,7-10H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyMYEXDPRLBAMCBO-WTSVBCDHSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds4

About (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol

(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol (PubChem CID 10997149) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
PubChem CID10997149
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
SMILESC/C=C/[C@@H](O)CNC(C)C
InChIInChI=1S/C8H17NO/c1-4-5-8(10)6-9-7(2)3/h4-5,7-10H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyMYEXDPRLBAMCBO-WTSVBCDHSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol?
The IUPAC name of (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol (CID 10997149) is (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol.
What is the SMILES notation for (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol?
The canonical SMILES for (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol is C/C=C/[C@@H](O)CNC(C)C.
What is the InChIKey of (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol?
The InChIKey is MYEXDPRLBAMCBO-WTSVBCDHSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(10)6-9-7(2)3/h4-5,7-10H,6H2,1-3H3/b5-4+/t8-/m1/s1.
What are the key properties of (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol?
(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol is sourced from PubChem (CID 10997149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).