(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine

C12H18N2 — CID 118900424

IUPAC(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
SMILESC=CNC1=NC=C/C1=C(\C)CCCC
InChIInChI=1S/C12H18N2/c1-4-6-7-10(3)11-8-9-14-12(11)13-5-2/h5,8-9H,2,4,6-7H2,1,3H3,(H,13,14)/b11-10-
InChIKeyGJGJWXHPZWCLCZ-KHPPLWFESA-N
MW190.29 g/mol
LogP3.15
Rot. Bonds4

About (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine

(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine (PubChem CID 118900424) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
PubChem CID118900424
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
SMILESC=CNC1=NC=C/C1=C(\C)CCCC
InChIInChI=1S/C12H18N2/c1-4-6-7-10(3)11-8-9-14-12(11)13-5-2/h5,8-9H,2,4,6-7H2,1,3H3,(H,13,14)/b11-10-
InChIKeyGJGJWXHPZWCLCZ-KHPPLWFESA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine?
The IUPAC name of (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine (CID 118900424) is (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine.
What is the SMILES notation for (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine?
The canonical SMILES for (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine is C=CNC1=NC=C/C1=C(\C)CCCC.
What is the InChIKey of (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine?
The InChIKey is GJGJWXHPZWCLCZ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18N2/c1-4-6-7-10(3)11-8-9-14-12(11)13-5-2/h5,8-9H,2,4,6-7H2,1,3H3,(H,13,14)/b11-10-.
What are the key properties of (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine?
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine has a molecular weight of 190.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine is sourced from PubChem (CID 118900424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).