N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine

C12H16N2 — CID 170279100

IUPACN-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine
SMILESC=N/C(C(=C)C)=C1/CNC=C1C(=C)C
InChIInChI=1S/C12H16N2/c1-8(2)10-6-14-7-11(10)12(13-5)9(3)4/h6,14H,1,3,5,7H2,2,4H3/b12-11-
InChIKeyVBGYKVPKSJCPDC-QXMHVHEDSA-N
MW188.27 g/mol
LogP2.58
Rot. Bonds3

About N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine

N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine (PubChem CID 170279100) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine
PubChem CID170279100
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine
SMILESC=N/C(C(=C)C)=C1/CNC=C1C(=C)C
InChIInChI=1S/C12H16N2/c1-8(2)10-6-14-7-11(10)12(13-5)9(3)4/h6,14H,1,3,5,7H2,2,4H3/b12-11-
InChIKeyVBGYKVPKSJCPDC-QXMHVHEDSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine?
The IUPAC name of N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine (CID 170279100) is N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine.
What is the SMILES notation for N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine?
The canonical SMILES for N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine is C=N/C(C(=C)C)=C1/CNC=C1C(=C)C.
What is the InChIKey of N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine?
The InChIKey is VBGYKVPKSJCPDC-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)10-6-14-7-11(10)12(13-5)9(3)4/h6,14H,1,3,5,7H2,2,4H3/b12-11-.
What are the key properties of N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine?
N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine has a molecular weight of 188.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-methyl-1-(4-prop-1-en-2-yl-1,2-dihydropyrrol-3-ylidene)prop-2-enyl]methanimine is sourced from PubChem (CID 170279100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).