(E)-4-iminopent-2-en-3-ol;pent-1-ene

C10H19NO — CID 165128744

IUPAC(E)-4-iminopent-2-en-3-ol;pent-1-ene
SMILESC=CCCC.[H]/N=C(C)/C(O)=C\C
InChIInChI=1S/C5H9NO.C5H10/c1-3-5(7)4(2)6;1-3-5-4-2/h3,6-7H,1-2H3;3H,1,4-5H2,2H3/b5-3+,6-4+;
InChIKeyKQEKECMRDQUGKG-WEUBHIEESA-N
MW169.27 g/mol
LogP3.46
Rot. Bonds3

About (E)-4-iminopent-2-en-3-ol;pent-1-ene

(E)-4-iminopent-2-en-3-ol;pent-1-ene (PubChem CID 165128744) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-4-iminopent-2-en-3-ol;pent-1-ene.

Molecular Properties

Compound Name(E)-4-iminopent-2-en-3-ol;pent-1-ene
PubChem CID165128744
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-4-iminopent-2-en-3-ol;pent-1-ene
SMILESC=CCCC.[H]/N=C(C)/C(O)=C\C
InChIInChI=1S/C5H9NO.C5H10/c1-3-5(7)4(2)6;1-3-5-4-2/h3,6-7H,1-2H3;3H,1,4-5H2,2H3/b5-3+,6-4+;
InChIKeyKQEKECMRDQUGKG-WEUBHIEESA-N
XLogP3.46
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-4-iminohex-2-en-2-yl]oxidanium
CID 143043472
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(E)-5-iminohept-3-en-4-ol
CID 163982995
(3E)-2-iminohexa-3,5-dien-3-ol
CID 143063135
(E)-4-iminopent-2-en-3-ol
CID 165128745

Frequently Asked Questions

What is the IUPAC name of (E)-4-iminopent-2-en-3-ol;pent-1-ene?
The IUPAC name of (E)-4-iminopent-2-en-3-ol;pent-1-ene (CID 165128744) is (E)-4-iminopent-2-en-3-ol;pent-1-ene.
What is the SMILES notation for (E)-4-iminopent-2-en-3-ol;pent-1-ene?
The canonical SMILES for (E)-4-iminopent-2-en-3-ol;pent-1-ene is C=CCCC.[H]/N=C(C)/C(O)=C\C.
What is the InChIKey of (E)-4-iminopent-2-en-3-ol;pent-1-ene?
The InChIKey is KQEKECMRDQUGKG-WEUBHIEESA-N. The full InChI is InChI=1S/C5H9NO.C5H10/c1-3-5(7)4(2)6;1-3-5-4-2/h3,6-7H,1-2H3;3H,1,4-5H2,2H3/b5-3+,6-4+;.
What are the key properties of (E)-4-iminopent-2-en-3-ol;pent-1-ene?
(E)-4-iminopent-2-en-3-ol;pent-1-ene has a molecular weight of 169.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iminopent-2-en-3-ol;pent-1-ene is sourced from PubChem (CID 165128744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).