N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine

C9H15N — CID 118614934

IUPACN-[(Z)-but-2-en-2-yl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C(C)=C/C
InChIInChI=1S/C9H15N/c1-5-8(4)10-9(6-2)7-3/h5-6H,2,7H2,1,3-4H3/b8-5-,10-9+
InChIKeyVXQSCVXGZWZIDU-RGPKZFNQSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine

N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine (PubChem CID 118614934) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]pent-1-en-3-imine
PubChem CID118614934
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(Z)-but-2-en-2-yl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C(C)=C/C
InChIInChI=1S/C9H15N/c1-5-8(4)10-9(6-2)7-3/h5-6H,2,7H2,1,3-4H3/b8-5-,10-9+
InChIKeyVXQSCVXGZWZIDU-RGPKZFNQSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine (CID 118614934) is N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine is C=C/C(CC)=N\C(C)=C/C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine?
The InChIKey is VXQSCVXGZWZIDU-RGPKZFNQSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(4)10-9(6-2)7-3/h5-6H,2,7H2,1,3-4H3/b8-5-,10-9+.
What are the key properties of N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine?
N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine is sourced from PubChem (CID 118614934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).