3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol

C9H17NO — CID 89028791

IUPAC3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol
SMILESC=C(O)CNC(=C)[C@@H](C)CC
InChIInChI=1S/C9H17NO/c1-5-7(2)9(4)10-6-8(3)11/h7,10-11H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWBDYZLSGWQLAGY-ZETCQYMHSA-N
MW155.24 g/mol
LogP2.21
Rot. Bonds5

About 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol

3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol (PubChem CID 89028791) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol
PubChem CID89028791
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol
SMILESC=C(O)CNC(=C)[C@@H](C)CC
InChIInChI=1S/C9H17NO/c1-5-7(2)9(4)10-6-8(3)11/h7,10-11H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWBDYZLSGWQLAGY-ZETCQYMHSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol?
The IUPAC name of 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol (CID 89028791) is 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol.
What is the SMILES notation for 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol?
The canonical SMILES for 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol is C=C(O)CNC(=C)[C@@H](C)CC.
What is the InChIKey of 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol?
The InChIKey is WBDYZLSGWQLAGY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7(2)9(4)10-6-8(3)11/h7,10-11H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol?
3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol has a molecular weight of 155.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-methylpent-1-en-2-yl]amino]prop-1-en-2-ol is sourced from PubChem (CID 89028791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).