2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine

C10H15Cl2NO — CID 103580684

IUPAC2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine
SMILESCl/C=C(/Cl)CNC1CCOC1C1CC1
InChIInChI=1S/C10H15Cl2NO/c11-5-8(12)6-13-9-3-4-14-10(9)7-1-2-7/h5,7,9-10,13H,1-4,6H2/b8-5+
InChIKeyANDNQOHXUHNDCA-VMPITWQZSA-N
MW236.14 g/mol
LogP2.46
Rot. Bonds4

About 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine

2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine (PubChem CID 103580684) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine
PubChem CID103580684
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine
SMILESCl/C=C(/Cl)CNC1CCOC1C1CC1
InChIInChI=1S/C10H15Cl2NO/c11-5-8(12)6-13-9-3-4-14-10(9)7-1-2-7/h5,7,9-10,13H,1-4,6H2/b8-5+
InChIKeyANDNQOHXUHNDCA-VMPITWQZSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine (CID 103580684) is 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine is Cl/C=C(/Cl)CNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine?
The InChIKey is ANDNQOHXUHNDCA-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15Cl2NO/c11-5-8(12)6-13-9-3-4-14-10(9)7-1-2-7/h5,7,9-10,13H,1-4,6H2/b8-5+.
What are the key properties of 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine?
2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine has a molecular weight of 236.14 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-2,3-dichloroprop-2-enyl]oxolan-3-amine is sourced from PubChem (CID 103580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).