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

C9H15N — CID 88994507

IUPAC2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C\C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)10-7-8(3)4/h5,7H,3,6H2,1-2,4H3/b9-5-,10-7+
InChIKeyUIXRRWPXFXRXBS-UXINQVNVSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

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

2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine (PubChem CID 88994507) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
PubChem CID88994507
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C\C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)10-7-8(3)4/h5,7H,3,6H2,1-2,4H3/b9-5-,10-7+
InChIKeyUIXRRWPXFXRXBS-UXINQVNVSA-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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Related Compounds

(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
2-fluoro-N-[(Z)-4-methylpent-2-en-3-yl]prop-2-en-1-imine
CID 148963729
(E)-N-(3-methylpent-2-en-2-yl)-2-(trifluoromethyl)but-2-en-1-imine
CID 153358122
(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 168972609
(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492718
(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
CID 171492771
(E)-2-(1,1-difluoroethyl)-N-penta-2,3-dien-2-ylbut-2-en-1-imine
CID 171492888
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 171493102
(E)-N-[(Z)-but-2-en-2-yl]-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 171493156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine (CID 88994507) is 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine is C=C(C)/C=N/C(=C\C)CC.
What is the InChIKey of 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
The InChIKey is UIXRRWPXFXRXBS-UXINQVNVSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(6-2)10-7-8(3)4/h5,7H,3,6H2,1-2,4H3/b9-5-,10-7+.
What are the key properties of 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-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 2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine is sourced from PubChem (CID 88994507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).