(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine

C8H10ClNO — CID 107900370

IUPAC(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine
SMILESCl/C=C/CNCc1ccoc1
InChIInChI=1S/C8H10ClNO/c9-3-1-4-10-6-8-2-5-11-7-8/h1-3,5,7,10H,4,6H2/b3-1+
InChIKeyRSCKANWEKJMROT-HNQUOIGGSA-N
MW171.63 g/mol
LogP2.12
Rot. Bonds4

About (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine

(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 107900370) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine
PubChem CID107900370
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine
SMILESCl/C=C/CNCc1ccoc1
InChIInChI=1S/C8H10ClNO/c9-3-1-4-10-6-8-2-5-11-7-8/h1-3,5,7,10H,4,6H2/b3-1+
InChIKeyRSCKANWEKJMROT-HNQUOIGGSA-N
XLogP2.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine (CID 107900370) is (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine is Cl/C=C/CNCc1ccoc1.
What is the InChIKey of (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is RSCKANWEKJMROT-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-3-1-4-10-6-8-2-5-11-7-8/h1-3,5,7,10H,4,6H2/b3-1+.
What are the key properties of (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine?
(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 171.63 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 107900370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).