(Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine

C12H15NO — CID 89366735

IUPAC(Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine
SMILESC=c1c(OC)ccc/c1=C/C(C)=C\N
InChIInChI=1S/C12H15NO/c1-9(8-13)7-11-5-4-6-12(14-3)10(11)2/h4-8H,2,13H2,1,3H3/b9-8-,11-7-
InChIKeyYDQRNXCFMZRQFY-VVPOTFPNSA-N
MW189.26 g/mol
LogP0.75
Rot. Bonds2

About (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine

(Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine (PubChem CID 89366735) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine
PubChem CID89366735
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine
SMILESC=c1c(OC)ccc/c1=C/C(C)=C\N
InChIInChI=1S/C12H15NO/c1-9(8-13)7-11-5-4-6-12(14-3)10(11)2/h4-8H,2,13H2,1,3H3/b9-8-,11-7-
InChIKeyYDQRNXCFMZRQFY-VVPOTFPNSA-N
XLogP0.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine?
The IUPAC name of (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine (CID 89366735) is (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine?
The canonical SMILES for (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine is C=c1c(OC)ccc/c1=C/C(C)=C\N.
What is the InChIKey of (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine?
The InChIKey is YDQRNXCFMZRQFY-VVPOTFPNSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(8-13)7-11-5-4-6-12(14-3)10(11)2/h4-8H,2,13H2,1,3H3/b9-8-,11-7-.
What are the key properties of (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine?
(Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine has a molecular weight of 189.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 89366735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).