(Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine

C24H37N — CID 126602783

IUPAC(Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine
SMILESC=C/N=C(C(/C=C\C)=C(C)C)/C(=C/C)C(CC)C1(C=CCC)CC1C
InChIInChI=1S/C24H37N/c1-9-14-16-24(17-19(24)8)22(12-4)20(11-3)23(25-13-5)21(15-10-2)18(6)7/h10-11,13-16,19,22H,5,9,12,17H2,1-4,6-8H3/b15-10-,16-14?,20-11+,25-23-
InChIKeyMHOBHAHDOOSVMP-NVAJEQTNSA-N
MW339.57 g/mol
LogP7.45
Rot. Bonds9

About (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine

(Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine (PubChem CID 126602783) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine.

Molecular Properties

Compound Name(Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine
PubChem CID126602783
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name(Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine
SMILESC=C/N=C(C(/C=C\C)=C(C)C)/C(=C/C)C(CC)C1(C=CCC)CC1C
InChIInChI=1S/C24H37N/c1-9-14-16-24(17-19(24)8)22(12-4)20(11-3)23(25-13-5)21(15-10-2)18(6)7/h10-11,13-16,19,22H,5,9,12,17H2,1-4,6-8H3/b15-10-,16-14?,20-11+,25-23-
InChIKeyMHOBHAHDOOSVMP-NVAJEQTNSA-N
XLogP7.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine?
The IUPAC name of (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine (CID 126602783) is (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine.
What is the SMILES notation for (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine?
The canonical SMILES for (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine is C=C/N=C(C(/C=C\C)=C(C)C)/C(=C/C)C(CC)C1(C=CCC)CC1C.
What is the InChIKey of (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine?
The InChIKey is MHOBHAHDOOSVMP-NVAJEQTNSA-N. The full InChI is InChI=1S/C24H37N/c1-9-14-16-24(17-19(24)8)22(12-4)20(11-3)23(25-13-5)21(15-10-2)18(6)7/h10-11,13-16,19,22H,5,9,12,17H2,1-4,6-8H3/b15-10-,16-14?,20-11+,25-23-.
What are the key properties of (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine?
(Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine has a molecular weight of 339.57 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6E)-7-(1-but-1-enyl-2-methylcyclopropyl)-N-ethenyl-6-ethylidene-4-propan-2-ylidenenon-2-en-5-imine is sourced from PubChem (CID 126602783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).