1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine

C12H18N2 — CID 142942535

IUPAC1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine
SMILESC=C/C=c1\c(=C/C)c(CNC)cn1C
InChIInChI=1S/C12H18N2/c1-5-7-12-11(6-2)10(8-13-3)9-14(12)4/h5-7,9,13H,1,8H2,2-4H3/b11-6-,12-7+
InChIKeySFUZMEZKLSIVQE-TWTKIJFOSA-N
MW190.29 g/mol
LogP0.51
Rot. Bonds3

About 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine

1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine (PubChem CID 142942535) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine
PubChem CID142942535
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine
SMILESC=C/C=c1\c(=C/C)c(CNC)cn1C
InChIInChI=1S/C12H18N2/c1-5-7-12-11(6-2)10(8-13-3)9-14(12)4/h5-7,9,13H,1,8H2,2-4H3/b11-6-,12-7+
InChIKeySFUZMEZKLSIVQE-TWTKIJFOSA-N
XLogP0.51
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine (CID 142942535) is 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine is C=C/C=c1\c(=C/C)c(CNC)cn1C.
What is the InChIKey of 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine?
The InChIKey is SFUZMEZKLSIVQE-TWTKIJFOSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-12-11(6-2)10(8-13-3)9-14(12)4/h5-7,9,13H,1,8H2,2-4H3/b11-6-,12-7+.
What are the key properties of 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine?
1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 142942535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).