(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride

C6H12ClNO — CID 169224270

IUPAC(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride
SMILESCOC1=CC[C@H](N)C1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-8-6-3-2-5(7)4-6;/h3,5H,2,4,7H2,1H3;1H/t5-;/m0./s1
InChIKeyFOJWEDZIZLCOIZ-JEDNCBNOSA-N
MW149.62 g/mol
LogP1.06
Rot. Bonds1

About (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride

(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride (PubChem CID 169224270) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride
PubChem CID169224270
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride
SMILESCOC1=CC[C@H](N)C1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-8-6-3-2-5(7)4-6;/h3,5H,2,4,7H2,1H3;1H/t5-;/m0./s1
InChIKeyFOJWEDZIZLCOIZ-JEDNCBNOSA-N
XLogP1.06
TPSA35.25 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-methoxycyclopent-2-en-1-amine
CID 117825755
3-Methoxycyclohex-3-en-1-amine
CID 147827210
(1R)-3-methoxycyclopent-3-en-1-amine;hydrochloride
CID 169224272
(1R)-3-methoxycyclopent-3-en-1-amine
CID 169224273
(1S)-3-methoxycyclopent-3-en-1-amine
CID 169224271

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride?
The IUPAC name of (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride (CID 169224270) is (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride is COC1=CC[C@H](N)C1.Cl.
What is the InChIKey of (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride?
The InChIKey is FOJWEDZIZLCOIZ-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-8-6-3-2-5(7)4-6;/h3,5H,2,4,7H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride?
(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride is sourced from PubChem (CID 169224270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).