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

C6H11NO — CID 169224271

IUPAC(1S)-3-methoxycyclopent-3-en-1-amine
SMILESCOC1=CC[C@H](N)C1
InChIInChI=1S/C6H11NO/c1-8-6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3/t5-/m0/s1
InChIKeyUQTHSQKIQNQFFO-YFKPBYRVSA-N
MW113.16 g/mol
LogP0.64
Rot. Bonds1

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

(1S)-3-methoxycyclopent-3-en-1-amine (PubChem CID 169224271) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S)-3-methoxycyclopent-3-en-1-amine.

Molecular Properties

Compound Name(1S)-3-methoxycyclopent-3-en-1-amine
PubChem CID169224271
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S)-3-methoxycyclopent-3-en-1-amine
SMILESCOC1=CC[C@H](N)C1
InChIInChI=1S/C6H11NO/c1-8-6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3/t5-/m0/s1
InChIKeyUQTHSQKIQNQFFO-YFKPBYRVSA-N
XLogP0.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxycyclohex-3-en-1-amine
CID 89153912
(1R)-2-methoxycyclopent-2-en-1-amine
CID 117825755
3-Methoxycyclohex-3-en-1-amine
CID 147827210
(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride
CID 169224270
(1R)-3-methoxycyclopent-3-en-1-amine;hydrochloride
CID 169224272
(1R)-3-methoxycyclopent-3-en-1-amine
CID 169224273
(Z)-5-methoxyhex-4-en-3-amine
CID 169999253
(3R)-4-methoxyhex-4-en-3-amine
CID 173566557
6-methyl-3,4-dihydro-2H-pyran-4-amine
CID 174647776

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methoxycyclopent-3-en-1-amine?
The IUPAC name of (1S)-3-methoxycyclopent-3-en-1-amine (CID 169224271) is (1S)-3-methoxycyclopent-3-en-1-amine.
What is the SMILES notation for (1S)-3-methoxycyclopent-3-en-1-amine?
The canonical SMILES for (1S)-3-methoxycyclopent-3-en-1-amine is COC1=CC[C@H](N)C1.
What is the InChIKey of (1S)-3-methoxycyclopent-3-en-1-amine?
The InChIKey is UQTHSQKIQNQFFO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-3-methoxycyclopent-3-en-1-amine?
(1S)-3-methoxycyclopent-3-en-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.64, 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 is sourced from PubChem (CID 169224271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).