(E)-4-(cyclopentylamino)but-2-en-1-ol

C9H17NO — CID 115012080

IUPAC(E)-4-(cyclopentylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCCC1
InChIInChI=1S/C9H17NO/c11-8-4-3-7-10-9-5-1-2-6-9/h3-4,9-11H,1-2,5-8H2/b4-3+
InChIKeyZJOWJBPXTBNFKI-ONEGZZNKSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds4

About (E)-4-(cyclopentylamino)but-2-en-1-ol

(E)-4-(cyclopentylamino)but-2-en-1-ol (PubChem CID 115012080) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-(cyclopentylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(cyclopentylamino)but-2-en-1-ol
PubChem CID115012080
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-(cyclopentylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCCC1
InChIInChI=1S/C9H17NO/c11-8-4-3-7-10-9-5-1-2-6-9/h3-4,9-11H,1-2,5-8H2/b4-3+
InChIKeyZJOWJBPXTBNFKI-ONEGZZNKSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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)-4-(cyclopentylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(cyclopentylamino)but-2-en-1-ol (CID 115012080) is (E)-4-(cyclopentylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(cyclopentylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(cyclopentylamino)but-2-en-1-ol is OC/C=C/CNC1CCCC1.
What is the InChIKey of (E)-4-(cyclopentylamino)but-2-en-1-ol?
The InChIKey is ZJOWJBPXTBNFKI-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17NO/c11-8-4-3-7-10-9-5-1-2-6-9/h3-4,9-11H,1-2,5-8H2/b4-3+.
What are the key properties of (E)-4-(cyclopentylamino)but-2-en-1-ol?
(E)-4-(cyclopentylamino)but-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(cyclopentylamino)but-2-en-1-ol is sourced from PubChem (CID 115012080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).