(3Z)-hepta-3,5-dien-2-imine

C7H11N — CID 123496221

IUPAC(3Z)-hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C=CC
InChIInChI=1S/C7H11N/c1-3-4-5-6-7(2)8/h3-6,8H,1-2H3/b4-3?,6-5-,8-7+
InChIKeyDNLDYTNUVRDXBW-OTKBHWHGSA-N
MW109.17 g/mol
LogP2.16
Rot. Bonds2

About (3Z)-hepta-3,5-dien-2-imine

(3Z)-hepta-3,5-dien-2-imine (PubChem CID 123496221) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (3Z)-hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-hepta-3,5-dien-2-imine
PubChem CID123496221
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(3Z)-hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C=CC
InChIInChI=1S/C7H11N/c1-3-4-5-6-7(2)8/h3-6,8H,1-2H3/b4-3?,6-5-,8-7+
InChIKeyDNLDYTNUVRDXBW-OTKBHWHGSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-hepta-3,5-dien-2-imine?
The IUPAC name of (3Z)-hepta-3,5-dien-2-imine (CID 123496221) is (3Z)-hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z)-hepta-3,5-dien-2-imine is [H]/N=C(C)/C=C\C=CC.
What is the InChIKey of (3Z)-hepta-3,5-dien-2-imine?
The InChIKey is DNLDYTNUVRDXBW-OTKBHWHGSA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-5-6-7(2)8/h3-6,8H,1-2H3/b4-3?,6-5-,8-7+.
What are the key properties of (3Z)-hepta-3,5-dien-2-imine?
(3Z)-hepta-3,5-dien-2-imine has a molecular weight of 109.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hepta-3,5-dien-2-imine is sourced from PubChem (CID 123496221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).