(E)-N-prop-2-enylpent-3-en-1-imine

C8H13N — CID 101152594

IUPAC(E)-N-prop-2-enylpent-3-en-1-imine
SMILESC=CC/N=C/C/C=C/C
InChIInChI=1S/C8H13N/c1-3-5-6-8-9-7-4-2/h3-5,8H,2,6-7H2,1H3/b5-3+,9-8+
InChIKeyPBQOPFSMKVTZCT-YEQUJYSKSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds4

About (E)-N-prop-2-enylpent-3-en-1-imine

(E)-N-prop-2-enylpent-3-en-1-imine (PubChem CID 101152594) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (E)-N-prop-2-enylpent-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-prop-2-enylpent-3-en-1-imine
PubChem CID101152594
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(E)-N-prop-2-enylpent-3-en-1-imine
SMILESC=CC/N=C/C/C=C/C
InChIInChI=1S/C8H13N/c1-3-5-6-8-9-7-4-2/h3-5,8H,2,6-7H2,1H3/b5-3+,9-8+
InChIKeyPBQOPFSMKVTZCT-YEQUJYSKSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-enylpent-3-en-1-imine?
The IUPAC name of (E)-N-prop-2-enylpent-3-en-1-imine (CID 101152594) is (E)-N-prop-2-enylpent-3-en-1-imine.
What is the SMILES notation for (E)-N-prop-2-enylpent-3-en-1-imine?
The canonical SMILES for (E)-N-prop-2-enylpent-3-en-1-imine is C=CC/N=C/C/C=C/C.
What is the InChIKey of (E)-N-prop-2-enylpent-3-en-1-imine?
The InChIKey is PBQOPFSMKVTZCT-YEQUJYSKSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-6-8-9-7-4-2/h3-5,8H,2,6-7H2,1H3/b5-3+,9-8+.
What are the key properties of (E)-N-prop-2-enylpent-3-en-1-imine?
(E)-N-prop-2-enylpent-3-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-enylpent-3-en-1-imine is sourced from PubChem (CID 101152594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).