(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine

C7H13NO — CID 138645319

IUPAC(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine
SMILESC/C=C(/C)O/C=C(/C)N
InChIInChI=1S/C7H13NO/c1-4-7(3)9-5-6(2)8/h4-5H,8H2,1-3H3/b6-5-,7-4-
InChIKeySDUOBPUBXXKTCF-RNPBPNGMSA-N
MW127.19 g/mol
LogP1.75
Rot. Bonds2

About (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine

(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine (PubChem CID 138645319) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine
PubChem CID138645319
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine
SMILESC/C=C(/C)O/C=C(/C)N
InChIInChI=1S/C7H13NO/c1-4-7(3)9-5-6(2)8/h4-5H,8H2,1-3H3/b6-5-,7-4-
InChIKeySDUOBPUBXXKTCF-RNPBPNGMSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.75
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

(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine
CID 88884456
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(Z)-3-methoxybut-2-en-2-amine
CID 130248747
(Z)-1-(1-aminoethenoxy)prop-1-en-2-amine
CID 130441321
(1E,3E,5E)-1,6-dimethoxyhepta-1,3,5-trien-3-amine
CID 138710975
(3E)-4-methoxypenta-1,3-dien-2-amine
CID 142106439
ethane;(Z)-1-ethenoxyprop-1-en-2-amine
CID 142514351
(Z)-1-ethenoxyprop-1-en-2-amine
CID 142514352
(Z)-1-[(Z)-prop-1-enoxy]prop-1-en-2-amine
CID 143255219
ethane;(Z)-1-methoxyprop-1-en-2-amine
CID 143631122
(Z)-1-ethoxyprop-1-en-2-amine
CID 144024538
(Z)-1-prop-1-en-2-yloxyprop-1-en-2-amine
CID 144218635

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine?
The IUPAC name of (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine (CID 138645319) is (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine?
The canonical SMILES for (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine is C/C=C(/C)O/C=C(/C)N.
What is the InChIKey of (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine?
The InChIKey is SDUOBPUBXXKTCF-RNPBPNGMSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(3)9-5-6(2)8/h4-5H,8H2,1-3H3/b6-5-,7-4-.
What are the key properties of (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine?
(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine has a molecular weight of 127.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine is sourced from PubChem (CID 138645319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).