N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine

C6H10BrNO — CID 139576198

IUPACN-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine
SMILESC=C(ONC)/C(Br)=C\C
InChIInChI=1S/C6H10BrNO/c1-4-6(7)5(2)9-8-3/h4,8H,2H2,1,3H3/b6-4+
InChIKeyLZFFAYFYYHTRTG-GQCTYLIASA-N
MW192.06 g/mol
LogP1.95
Rot. Bonds3

About N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine

N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine (PubChem CID 139576198) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine.

Molecular Properties

Compound NameN-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine
PubChem CID139576198
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC NameN-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine
SMILESC=C(ONC)/C(Br)=C\C
InChIInChI=1S/C6H10BrNO/c1-4-6(7)5(2)9-8-3/h4,8H,2H2,1,3H3/b6-4+
InChIKeyLZFFAYFYYHTRTG-GQCTYLIASA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-bromo-2-methoxypenta-1,3-diene;ethane
CID 166167224
(3E)-2-bromo-3-methoxypenta-1,3-diene
CID 147749518
N-[(Z)-but-2-en-2-yl]oxymethanamine
CID 129194467
methyl (Z)-2-bromobut-2-enoate
CID 6372571
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
CID 144646634
methylamino 2-aminoprop-2-enoate
CID 155065198
(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene
CID 156799565
2-methoxypenta-1,3-dien-3-yl phosphanylformate
CID 90916545
(3E,5E)-5-bromo-4-fluoro-2-methylhepta-1,3,5-triene
CID 88853657
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
CID 123192453
(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene
CID 88705103

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine?
The IUPAC name of N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine (CID 139576198) is N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine.
What is the SMILES notation for N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine?
The canonical SMILES for N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine is C=C(ONC)/C(Br)=C\C.
What is the InChIKey of N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine?
The InChIKey is LZFFAYFYYHTRTG-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10BrNO/c1-4-6(7)5(2)9-8-3/h4,8H,2H2,1,3H3/b6-4+.
What are the key properties of N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine?
N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine has a molecular weight of 192.06 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine is sourced from PubChem (CID 139576198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).