(Z)-hept-3-en-6-yn-2-imine

C7H9N — CID 91453242

IUPAC(Z)-hept-3-en-6-yn-2-imine
SMILES[H]/N=C(C)/C=C\CC#C
InChIInChI=1S/C7H9N/c1-3-4-5-6-7(2)8/h1,5-6,8H,4H2,2H3/b6-5-,8-7+
InChIKeyYKSIAGOKZMYXCM-IGTJQSIKSA-N
MW107.16 g/mol
LogP1.61
Rot. Bonds2

About (Z)-hept-3-en-6-yn-2-imine

(Z)-hept-3-en-6-yn-2-imine (PubChem CID 91453242) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (Z)-hept-3-en-6-yn-2-imine.

Molecular Properties

Compound Name(Z)-hept-3-en-6-yn-2-imine
PubChem CID91453242
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(Z)-hept-3-en-6-yn-2-imine
SMILES[H]/N=C(C)/C=C\CC#C
InChIInChI=1S/C7H9N/c1-3-4-5-6-7(2)8/h1,5-6,8H,4H2,2H3/b6-5-,8-7+
InChIKeyYKSIAGOKZMYXCM-IGTJQSIKSA-N
XLogP1.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-pent-3-en-2-imine
CID 90707502
(4Z)-hepta-1,4-dien-3-imine
CID 90857061
(E)-hex-3-en-2-imine
CID 91212291
(2Z,5Z)-hepta-2,5-dien-4-imine
CID 91289799
Pent-3-en-2-imine
CID 91381647
(Z)-hept-3-en-2-imine
CID 91411864
(2Z,5Z)-octa-2,5-dien-4-imine
CID 91445823
(E)-pent-3-en-2-imine
CID 91530034
(4Z)-hexa-1,4-dien-3-imine
CID 91614892
N-methylhex-4-en-1-yn-3-imine
CID 123279994
(3Z,6Z)-nona-3,6-dien-5-imine
CID 123410938
Hexa-1,4-dien-3-imine
CID 123678894

Frequently Asked Questions

What is the IUPAC name of (Z)-hept-3-en-6-yn-2-imine?
The IUPAC name of (Z)-hept-3-en-6-yn-2-imine (CID 91453242) is (Z)-hept-3-en-6-yn-2-imine.
What is the SMILES notation for (Z)-hept-3-en-6-yn-2-imine?
The canonical SMILES for (Z)-hept-3-en-6-yn-2-imine is [H]/N=C(C)/C=C\CC#C.
What is the InChIKey of (Z)-hept-3-en-6-yn-2-imine?
The InChIKey is YKSIAGOKZMYXCM-IGTJQSIKSA-N. The full InChI is InChI=1S/C7H9N/c1-3-4-5-6-7(2)8/h1,5-6,8H,4H2,2H3/b6-5-,8-7+.
What are the key properties of (Z)-hept-3-en-6-yn-2-imine?
(Z)-hept-3-en-6-yn-2-imine has a molecular weight of 107.16 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-3-en-6-yn-2-imine is sourced from PubChem (CID 91453242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).