(E)-2-chlorobut-2-ene-1,3-diamine

C4H9ClN2 — CID 146384599

IUPAC(E)-2-chlorobut-2-ene-1,3-diamine
SMILESC/C(N)=C(\Cl)CN
InChIInChI=1S/C4H9ClN2/c1-3(7)4(5)2-6/h2,6-7H2,1H3/b4-3+
InChIKeyXCRUDQZZCLQRLS-ONEGZZNKSA-N
MW120.58 g/mol
LogP0.37
Rot. Bonds1

About (E)-2-chlorobut-2-ene-1,3-diamine

(E)-2-chlorobut-2-ene-1,3-diamine (PubChem CID 146384599) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is (E)-2-chlorobut-2-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-chlorobut-2-ene-1,3-diamine
PubChem CID146384599
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC Name(E)-2-chlorobut-2-ene-1,3-diamine
SMILESC/C(N)=C(\Cl)CN
InChIInChI=1S/C4H9ClN2/c1-3(7)4(5)2-6/h2,6-7H2,1H3/b4-3+
InChIKeyXCRUDQZZCLQRLS-ONEGZZNKSA-N
XLogP0.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-chlorobut-2-ene-1,3-diamine?
The IUPAC name of (E)-2-chlorobut-2-ene-1,3-diamine (CID 146384599) is (E)-2-chlorobut-2-ene-1,3-diamine.
What is the SMILES notation for (E)-2-chlorobut-2-ene-1,3-diamine?
The canonical SMILES for (E)-2-chlorobut-2-ene-1,3-diamine is C/C(N)=C(\Cl)CN.
What is the InChIKey of (E)-2-chlorobut-2-ene-1,3-diamine?
The InChIKey is XCRUDQZZCLQRLS-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9ClN2/c1-3(7)4(5)2-6/h2,6-7H2,1H3/b4-3+.
What are the key properties of (E)-2-chlorobut-2-ene-1,3-diamine?
(E)-2-chlorobut-2-ene-1,3-diamine has a molecular weight of 120.58 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chlorobut-2-ene-1,3-diamine is sourced from PubChem (CID 146384599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).