N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine

C9H16ClNO — CID 131235644

IUPACN-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine
SMILESCN(C/C=C/Cl)C1CCCOC1
InChIInChI=1S/C9H16ClNO/c1-11(6-3-5-10)9-4-2-7-12-8-9/h3,5,9H,2,4,6-8H2,1H3/b5-3+
InChIKeyHUZUVZDVWOLBFM-HWKANZROSA-N
MW189.69 g/mol
LogP1.85
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine

N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine (PubChem CID 131235644) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine
PubChem CID131235644
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine
SMILESCN(C/C=C/Cl)C1CCCOC1
InChIInChI=1S/C9H16ClNO/c1-11(6-3-5-10)9-4-2-7-12-8-9/h3,5,9H,2,4,6-8H2,1H3/b5-3+
InChIKeyHUZUVZDVWOLBFM-HWKANZROSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine (CID 131235644) is N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine is CN(C/C=C/Cl)C1CCCOC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine?
The InChIKey is HUZUVZDVWOLBFM-HWKANZROSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-11(6-3-5-10)9-4-2-7-12-8-9/h3,5,9H,2,4,6-8H2,1H3/b5-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine?
N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine has a molecular weight of 189.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-3-amine is sourced from PubChem (CID 131235644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).