(E)-3-propoxypent-3-en-2-imine

C8H15NO — CID 178009158

IUPAC(E)-3-propoxypent-3-en-2-imine
SMILES[H]/N=C(C)/C(=C\C)OCCC
InChIInChI=1S/C8H15NO/c1-4-6-10-8(5-2)7(3)9/h5,9H,4,6H2,1-3H3/b8-5+,9-7+
InChIKeyNXUJOFNFBAABRC-OCIXRKKMSA-N
MW141.21 g/mol
LogP2.36
Rot. Bonds4

About (E)-3-propoxypent-3-en-2-imine

(E)-3-propoxypent-3-en-2-imine (PubChem CID 178009158) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-3-propoxypent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-propoxypent-3-en-2-imine
PubChem CID178009158
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-3-propoxypent-3-en-2-imine
SMILES[H]/N=C(C)/C(=C\C)OCCC
InChIInChI=1S/C8H15NO/c1-4-6-10-8(5-2)7(3)9/h5,9H,4,6H2,1-3H3/b8-5+,9-7+
InChIKeyNXUJOFNFBAABRC-OCIXRKKMSA-N
XLogP2.36
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
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'}

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Related Compounds

(Z)-4-methoxypent-3-en-2-imine
CID 12462133
2,5-Dimethoxy benzoquinone diimine
CID 53963286
(E)-3-methoxy-2-N-methylhex-3-ene-2,5-diimine
CID 89591064
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-3-methoxy-4-methylhex-3-en-2-imine
CID 91549951
(Z)-4-methoxy-5,5-dimethylhex-3-en-2-imine
CID 117717664
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
(E)-4-methoxyhex-3-en-2-imine
CID 123377670
(4E)-4-methoxyhexa-1,4-dien-3-imine
CID 123850512
(E)-4-ethoxyhex-3-en-2-imine
CID 143506162
ethane;(E)-4-ethoxypent-3-en-2-imine
CID 144104568
(3E)-3-ethenoxyocta-3,7-dien-2-imine
CID 165128699

Frequently Asked Questions

What is the IUPAC name of (E)-3-propoxypent-3-en-2-imine?
The IUPAC name of (E)-3-propoxypent-3-en-2-imine (CID 178009158) is (E)-3-propoxypent-3-en-2-imine.
What is the SMILES notation for (E)-3-propoxypent-3-en-2-imine?
The canonical SMILES for (E)-3-propoxypent-3-en-2-imine is [H]/N=C(C)/C(=C\C)OCCC.
What is the InChIKey of (E)-3-propoxypent-3-en-2-imine?
The InChIKey is NXUJOFNFBAABRC-OCIXRKKMSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-10-8(5-2)7(3)9/h5,9H,4,6H2,1-3H3/b8-5+,9-7+.
What are the key properties of (E)-3-propoxypent-3-en-2-imine?
(E)-3-propoxypent-3-en-2-imine has a molecular weight of 141.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propoxypent-3-en-2-imine is sourced from PubChem (CID 178009158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).