(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine

C8H9ClN2O — CID 178014645

IUPAC(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine
SMILESN/C(=C\C=C(/N)Cl)c1ccco1
InChIInChI=1S/C8H9ClN2O/c9-8(11)4-3-6(10)7-2-1-5-12-7/h1-5H,10-11H2/b6-3-,8-4-
InChIKeyHKBFTCSRAPXNEM-IJXUMNLFSA-N
MW184.63 g/mol
LogP1.62
Rot. Bonds2

About (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine

(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine (PubChem CID 178014645) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine
PubChem CID178014645
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine
SMILESN/C(=C\C=C(/N)Cl)c1ccco1
InChIInChI=1S/C8H9ClN2O/c9-8(11)4-3-6(10)7-2-1-5-12-7/h1-5H,10-11H2/b6-3-,8-4-
InChIKeyHKBFTCSRAPXNEM-IJXUMNLFSA-N
XLogP1.62
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(furan-2-yl)prop-2-enenitrile
CID 69283548
2-[(E)-1-chloroprop-1-enyl]furan
CID 170605164
furan-2-carboxamide;molecular hydrogen
CID 145259960
(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
CID 162584999
(Z)-but-2-enedioic acid;furan-2-carboxamide
CID 161348796
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898
N,N'-diaminofuran-2-carboximidamide
CID 145191959
(E)-3-(furan-2-yl)but-2-enal
CID 12601620
furan-2-carboxylic acid;methanamine
CID 82372767
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
CID 159366608
N-chlorofuran-2-carboxamide
CID 18537247

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine (CID 178014645) is (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine is N/C(=C\C=C(/N)Cl)c1ccco1.
What is the InChIKey of (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine?
The InChIKey is HKBFTCSRAPXNEM-IJXUMNLFSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-8(11)4-3-6(10)7-2-1-5-12-7/h1-5H,10-11H2/b6-3-,8-4-.
What are the key properties of (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine?
(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine has a molecular weight of 184.63 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 178014645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).