2-chloro-3-methyloxirane;prop-2-en-1-amine

C6H12ClNO — CID 175326390

IUPAC2-chloro-3-methyloxirane;prop-2-en-1-amine
SMILESC=CCN.CC1OC1Cl
InChIInChI=1S/C3H5ClO.C3H7N/c1-2-3(4)5-2;1-2-3-4/h2-3H,1H3;2H,1,3-4H2
InChIKeyVFGVHUQEIQJBQL-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.10
Rot. Bonds1

About 2-chloro-3-methyloxirane;prop-2-en-1-amine

2-chloro-3-methyloxirane;prop-2-en-1-amine (PubChem CID 175326390) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-3-methyloxirane;prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-3-methyloxirane;prop-2-en-1-amine
PubChem CID175326390
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-3-methyloxirane;prop-2-en-1-amine
SMILESC=CCN.CC1OC1Cl
InChIInChI=1S/C3H5ClO.C3H7N/c1-2-3(4)5-2;1-2-3-4/h2-3H,1H3;2H,1,3-4H2
InChIKeyVFGVHUQEIQJBQL-UHFFFAOYSA-N
XLogP1.10
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methyloxirane;hydrazine
CID 157079115
2-chloro-3-methyloxirane;methanol
CID 174638567
fluoromethane;prop-2-en-1-amine
CID 173426164
chloro hypochlorite;2-chloro-3-methyloxirane
CID 174858426
2-methylpropane;prop-2-en-1-amine
CID 161130166
2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454485
prop-2-en-1-amine;zinc;hydrochloride
CID 174943881
azane;prop-2-en-1-amine;hydrochloride
CID 174769077
2-chloro-3-methyloxirane;2-methyloxirane;oxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454487
cyclohexane;bis(prop-2-en-1-amine)
CID 67816454
1,1'-biphenyl;2-chloro-3-methyloxirane
CID 174592188
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxirane;prop-2-en-1-amine?
The IUPAC name of 2-chloro-3-methyloxirane;prop-2-en-1-amine (CID 175326390) is 2-chloro-3-methyloxirane;prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-3-methyloxirane;prop-2-en-1-amine?
The canonical SMILES for 2-chloro-3-methyloxirane;prop-2-en-1-amine is C=CCN.CC1OC1Cl.
What is the InChIKey of 2-chloro-3-methyloxirane;prop-2-en-1-amine?
The InChIKey is VFGVHUQEIQJBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.C3H7N/c1-2-3(4)5-2;1-2-3-4/h2-3H,1H3;2H,1,3-4H2.
What are the key properties of 2-chloro-3-methyloxirane;prop-2-en-1-amine?
2-chloro-3-methyloxirane;prop-2-en-1-amine has a molecular weight of 149.62 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxirane;prop-2-en-1-amine is sourced from PubChem (CID 175326390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).