(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine

C20H24N4 — CID 163417498

IUPAC(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine
SMILES[H]/N=C(C)/C(C)=c1/cc/c(=C(\C)C2=N/C(=C(C)\C(N)=C\C=C)C=C2)[nH]1
InChIInChI=1S/C20H24N4/c1-6-7-16(22)13(3)18-9-11-20(24-18)14(4)19-10-8-17(23-19)12(2)15(5)21/h6-11,21,23H,1,22H2,2-5H3/b16-7-,17-12-,18-13-,19-14-,21-15+
InChIKeyAFRQAHDCNVCZLE-JWONUVFRSA-N
MW320.44 g/mol
LogP2.71
Rot. Bonds4

About (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine

(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine (PubChem CID 163417498) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine
PubChem CID163417498
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine
SMILES[H]/N=C(C)/C(C)=c1/cc/c(=C(\C)C2=N/C(=C(C)\C(N)=C\C=C)C=C2)[nH]1
InChIInChI=1S/C20H24N4/c1-6-7-16(22)13(3)18-9-11-20(24-18)14(4)19-10-8-17(23-19)12(2)15(5)21/h6-11,21,23H,1,22H2,2-5H3/b16-7-,17-12-,18-13-,19-14-,21-15+
InChIKeyAFRQAHDCNVCZLE-JWONUVFRSA-N
XLogP2.71
TPSA78.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine?
The IUPAC name of (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine (CID 163417498) is (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine.
What is the SMILES notation for (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine?
The canonical SMILES for (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine is [H]/N=C(C)/C(C)=c1/cc/c(=C(\C)C2=N/C(=C(C)\C(N)=C\C=C)C=C2)[nH]1.
What is the InChIKey of (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine?
The InChIKey is AFRQAHDCNVCZLE-JWONUVFRSA-N. The full InChI is InChI=1S/C20H24N4/c1-6-7-16(22)13(3)18-9-11-20(24-18)14(4)19-10-8-17(23-19)12(2)15(5)21/h6-11,21,23H,1,22H2,2-5H3/b16-7-,17-12-,18-13-,19-14-,21-15+.
What are the key properties of (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine?
(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine has a molecular weight of 320.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine is sourced from PubChem (CID 163417498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).