azane;3-chloro-2-methylprop-1-ene

C4H10ClN — CID 88745979

IUPACazane;3-chloro-2-methylprop-1-ene
SMILESC=C(C)CCl.N
InChIInChI=1S/C4H7Cl.H3N/c1-4(2)3-5;/h1,3H2,2H3;1H3
InChIKeyPZZMBKFXTCOTAO-UHFFFAOYSA-N
MW107.58 g/mol
LogP1.96
Rot. Bonds1

About azane;3-chloro-2-methylprop-1-ene

azane;3-chloro-2-methylprop-1-ene (PubChem CID 88745979) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is azane;3-chloro-2-methylprop-1-ene.

Molecular Properties

Compound Nameazane;3-chloro-2-methylprop-1-ene
PubChem CID88745979
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Nameazane;3-chloro-2-methylprop-1-ene
SMILESC=C(C)CCl.N
InChIInChI=1S/C4H7Cl.H3N/c1-4(2)3-5;/h1,3H2,2H3;1H3
InChIKeyPZZMBKFXTCOTAO-UHFFFAOYSA-N
XLogP1.96
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;3-chloro-2-methylprop-1-ene?
The IUPAC name of azane;3-chloro-2-methylprop-1-ene (CID 88745979) is azane;3-chloro-2-methylprop-1-ene.
What is the SMILES notation for azane;3-chloro-2-methylprop-1-ene?
The canonical SMILES for azane;3-chloro-2-methylprop-1-ene is C=C(C)CCl.N.
What is the InChIKey of azane;3-chloro-2-methylprop-1-ene?
The InChIKey is PZZMBKFXTCOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl.H3N/c1-4(2)3-5;/h1,3H2,2H3;1H3.
What are the key properties of azane;3-chloro-2-methylprop-1-ene?
azane;3-chloro-2-methylprop-1-ene has a molecular weight of 107.58 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-chloro-2-methylprop-1-ene is sourced from PubChem (CID 88745979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).