3-[(Z)-prop-1-enoxy]but-3-en-1-amine

C7H13NO — CID 142888321

IUPAC3-[(Z)-prop-1-enoxy]but-3-en-1-amine
SMILESC=C(CCN)O/C=C\C
InChIInChI=1S/C7H13NO/c1-3-6-9-7(2)4-5-8/h3,6H,2,4-5,8H2,1H3/b6-3-
InChIKeyJGTIRKXQSKOBPO-UTCJRWHESA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds4

About 3-[(Z)-prop-1-enoxy]but-3-en-1-amine

3-[(Z)-prop-1-enoxy]but-3-en-1-amine (PubChem CID 142888321) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enoxy]but-3-en-1-amine.

Molecular Properties

Compound Name3-[(Z)-prop-1-enoxy]but-3-en-1-amine
PubChem CID142888321
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-[(Z)-prop-1-enoxy]but-3-en-1-amine
SMILESC=C(CCN)O/C=C\C
InChIInChI=1S/C7H13NO/c1-3-6-9-7(2)4-5-8/h3,6H,2,4-5,8H2,1H3/b6-3-
InChIKeyJGTIRKXQSKOBPO-UTCJRWHESA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methoxypent-4-en-1-amine
CID 14665400
2,3-Dihydrofuran-3-ylmethanamine
CID 70300745
5-Methoxypent-4-en-1-amine
CID 72738317
(E)-6-methoxyhex-5-en-1-amine
CID 89064365
3-Ethoxybut-3-en-1-amine
CID 89171702
3-Methoxybut-3-en-1-amine
CID 89264894
(2R)-4-methoxybut-3-en-2-amine;hydrochloride
CID 90034670
1-[(Z)-prop-1-enoxy]ethanamine
CID 131999460
3-[(Z)-prop-1-enoxy]butan-1-amine
CID 134485277
3-Methoxypenta-3,4-dien-1-amine
CID 139950067
3-Prop-1-enoxypropan-1-amine
CID 140159144
3-Prop-1-enoxypropane-1,1-diamine
CID 141342254

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enoxy]but-3-en-1-amine?
The IUPAC name of 3-[(Z)-prop-1-enoxy]but-3-en-1-amine (CID 142888321) is 3-[(Z)-prop-1-enoxy]but-3-en-1-amine.
What is the SMILES notation for 3-[(Z)-prop-1-enoxy]but-3-en-1-amine?
The canonical SMILES for 3-[(Z)-prop-1-enoxy]but-3-en-1-amine is C=C(CCN)O/C=C\C.
What is the InChIKey of 3-[(Z)-prop-1-enoxy]but-3-en-1-amine?
The InChIKey is JGTIRKXQSKOBPO-UTCJRWHESA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-9-7(2)4-5-8/h3,6H,2,4-5,8H2,1H3/b6-3-.
What are the key properties of 3-[(Z)-prop-1-enoxy]but-3-en-1-amine?
3-[(Z)-prop-1-enoxy]but-3-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enoxy]but-3-en-1-amine is sourced from PubChem (CID 142888321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).