N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine

C13H18N2 — CID 129231573

IUPACN-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine
SMILESC/C=C\c1[nH]c(=C/C)/c(=C\C)c1/N=C/C
InChIInChI=1S/C13H18N2/c1-5-9-12-13(14-8-4)10(6-2)11(7-3)15-12/h5-9,15H,1-4H3/b9-5-,10-6+,11-7+,14-8+
InChIKeyCKCKEFSYEIHSAH-XPNPZVSWSA-N
MW202.30 g/mol
LogP2.37
Rot. Bonds2

About N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine

N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine (PubChem CID 129231573) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine
PubChem CID129231573
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine
SMILESC/C=C\c1[nH]c(=C/C)/c(=C\C)c1/N=C/C
InChIInChI=1S/C13H18N2/c1-5-9-12-13(14-8-4)10(6-2)11(7-3)15-12/h5-9,15H,1-4H3/b9-5-,10-6+,11-7+,14-8+
InChIKeyCKCKEFSYEIHSAH-XPNPZVSWSA-N
XLogP2.37
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
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-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine?
The IUPAC name of N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine (CID 129231573) is N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine.
What is the SMILES notation for N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine?
The canonical SMILES for N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine is C/C=C\c1[nH]c(=C/C)/c(=C\C)c1/N=C/C.
What is the InChIKey of N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine?
The InChIKey is CKCKEFSYEIHSAH-XPNPZVSWSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-9-12-13(14-8-4)10(6-2)11(7-3)15-12/h5-9,15H,1-4H3/b9-5-,10-6+,11-7+,14-8+.
What are the key properties of N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine?
N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine has a molecular weight of 202.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine is sourced from PubChem (CID 129231573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).